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

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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).