5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

C29H30N6O2 — CID 11650178

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)Cc4cccnc4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C29H30N6O2/c30-17-24-19-32-28(33-24)29(37)34-26-9-8-23(16-25(26)22-6-2-1-3-7-22)21-10-13-35(14-11-21)27(36)15-20-5-4-12-31-18-20/h4-6,8-9,12,16,18-19,21H,1-3,7,10-11,13-15H2,(H,32,33)(H,34,37)
InChIKeySLAJWIKQRQPMOS-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.83
Rot. Bonds6

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 11650178) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID11650178
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)Cc4cccnc4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C29H30N6O2/c30-17-24-19-32-28(33-24)29(37)34-26-9-8-23(16-25(26)22-6-2-1-3-7-22)21-10-13-35(14-11-21)27(36)15-20-5-4-12-31-18-20/h4-6,8-9,12,16,18-19,21H,1-3,7,10-11,13-15H2,(H,32,33)(H,34,37)
InChIKeySLAJWIKQRQPMOS-UHFFFAOYSA-N
XLogP4.83
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

4-Cyano-N-(2-Cyclohex-1-En-1-Yl-4-Piperidin-4-Ylphenyl)-1h-Imidazole-2-Carboxamide
CID 11696478
Jnj-28312141
CID 44551653
5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
CID 11555179
4-[4-[[(5-Cyano-1H-imidazol-2-yl)carbonyl]amino]-3-(1-cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)-1-piperidinecarboxamide
CID 11576269
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380
N-[4-[1-(3-amino-3-methylbutanoyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 11642786
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-[2-hydroxyethyl(methyl)amino]acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11664409
4-cyano-N-(2-(1-cyclohexen-1-yl)-4-(1-((dimethylamino)acetyl)-4-piperidinyl)phenyl)-1H-imidazole-2-carboxamide
CID 11676971
4-cyano-N-(2-cyclohexenyl-4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783102
4-cyano-N-(4-(2-(cyanoimino)-1,3-dimethylhexahydropyrimidin-5-yl)-2-(4,4-dimethylcyclohex-1-enyl)phenyl)-1H-imidazole-2-carboxamide
CID 24783104
4-cyano-N-(2-cycloheptenyl-4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783356
4-cyano-N-(4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)-2-(4,4-dimethylcyclohex-1-enyl)phenyl)-1H-imidazole-2-carboxamide
CID 24783357

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (CID 11650178) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)Cc4cccnc4)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is SLAJWIKQRQPMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c30-17-24-19-32-28(33-24)29(37)34-26-9-8-23(16-25(26)22-6-2-1-3-7-22)21-10-13-35(14-11-21)27(36)15-20-5-4-12-31-18-20/h4-6,8-9,12,16,18-19,21H,1-3,7,10-11,13-15H2,(H,32,33)(H,34,37).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11650178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).