2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

C17H20N6O — CID 137496518

IUPAC2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(N2CCC(C#N)CC2)n1C)c1cccnc1
InChIInChI=1S/C17H20N6O/c1-21(14-4-3-7-19-11-14)16(24)15-12-20-17(22(15)2)23-8-5-13(10-18)6-9-23/h3-4,7,11-13H,5-6,8-9H2,1-2H3
InChIKeyONFVLIWUIJQWMZ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.83
Rot. Bonds3

About 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 137496518) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
PubChem CID137496518
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(N2CCC(C#N)CC2)n1C)c1cccnc1
InChIInChI=1S/C17H20N6O/c1-21(14-4-3-7-19-11-14)16(24)15-12-20-17(22(15)2)23-8-5-13(10-18)6-9-23/h3-4,7,11-13H,5-6,8-9H2,1-2H3
InChIKeyONFVLIWUIJQWMZ-UHFFFAOYSA-N
XLogP1.83
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-2-morpholin-4-yl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130302801
2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260928
N,3-dimethyl-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260897
N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164274
2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164319
N-methyl-N-pyridin-3-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 134164339
2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 138675099
2-butylsulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164271
2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 156732990
1-pyridin-3-ylpiperidine-4-carbonitrile
CID 71721220
N,3-dimethyl-2-(1-methyltriazol-4-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 130332406
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164300

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (CID 137496518) is 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is CN(C(=O)c1cnc(N2CCC(C#N)CC2)n1C)c1cccnc1.
What is the InChIKey of 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is ONFVLIWUIJQWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-21(14-4-3-7-19-11-14)16(24)15-12-20-17(22(15)2)23-8-5-13(10-18)6-9-23/h3-4,7,11-13H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 137496518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).