TV9

N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide

Created:	2023-08-28
Last modified:	2023-11-29

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2 entries where TV9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	6

2D diagram of TV9

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Chemical Component Summary
Name	N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{S})-1-pyridin-3-ylethyl]cyclopropanecarboxamide
Formula	C₁₁ H₁₄ N₂ O
Molecular Weight	190.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(NC(=O)C1CC1)c1cccnc1
SMILES	CACTVS	3.385	C[CH](NC(=O)C1CC1)c2cccnc2
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cccnc1)NC(=O)C2CC2
Canonical SMILES	CACTVS	3.385	C[C@H](NC(=O)C1CC1)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](c1cccnc1)NC(=O)C2CC2
InChI	InChI	1.06	InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1
InChIKey	InChI	1.06	XMSIZXIEDPYJDR-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	52519333

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.