47V

2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide

Created:	2015-02-11
Last modified:	2016-03-02

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3 entries where 47V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	11

2D diagram of 47V

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Chemical Component Summary
Name	2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide
Systematic Name (OpenEye OEToolkits)	2,5-dimethyl-N-pyridin-4-yl-furan-3-carboxamide
Formula	C₁₂ H₁₂ N₂ O₂
Molecular Weight	216.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cc(oc1C)C)Nc2ccncc2
SMILES	CACTVS	3.385	Cc1oc(C)c(c1)C(=O)Nc2ccncc2
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(c(o1)C)C(=O)Nc2ccncc2
Canonical SMILES	CACTVS	3.385	Cc1oc(C)c(c1)C(=O)Nc2ccncc2
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(c(o1)C)C(=O)Nc2ccncc2
InChI	InChI	1.03	InChI=1S/C12H12N2O2/c1-8-7-11(9(2)16-8)12(15)14-10-3-5-13-6-4-10/h3-7H,1-2H3,(H,13,14,15)
InChIKey	InChI	1.03	LSWLYNGTJMNMRF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	17248960
ChEMBL	CHEMBL2357735

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