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

C28H30N6O — CID 11505187

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(Cc4ccccn4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35)
InChIKeyKWLXMAXTGKZBPW-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.27
Rot. Bonds6

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 11505187) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID11505187
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(Cc4ccccn4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35)
InChIKeyKWLXMAXTGKZBPW-UHFFFAOYSA-N
XLogP5.27
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (CID 11505187) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCN(Cc4ccccn4)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is KWLXMAXTGKZBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c29-17-24-18-31-27(32-24)28(35)33-26-10-9-22(16-25(26)21-6-2-1-3-7-21)20-11-14-34(15-12-20)19-23-8-4-5-13-30-23/h4-6,8-10,13,16,18,20H,1-3,7,11-12,14-15,19H2,(H,31,32)(H,33,35).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 5.27, 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-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11505187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).