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

C28H28N6O2 — CID 11612700

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)c4cccnc4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C28H28N6O2/c29-16-23-18-31-26(32-23)27(35)33-25-9-8-21(15-24(25)20-5-2-1-3-6-20)19-10-13-34(14-11-19)28(36)22-7-4-12-30-17-22/h4-5,7-9,12,15,17-19H,1-3,6,10-11,13-14H2,(H,31,32)(H,33,35)
InChIKeyPSWOVPWZYVUKKW-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.91
Rot. Bonds5

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 11612700) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID11612700
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)c4cccnc4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C28H28N6O2/c29-16-23-18-31-26(32-23)27(35)33-25-9-8-21(15-24(25)20-5-2-1-3-6-20)19-10-13-34(14-11-19)28(36)22-7-4-12-30-17-22/h4-5,7-9,12,15,17-19H,1-3,6,10-11,13-14H2,(H,31,32)(H,33,35)
InChIKeyPSWOVPWZYVUKKW-UHFFFAOYSA-N
XLogP4.91
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.91
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-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (CID 11612700) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)c4cccnc4)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is PSWOVPWZYVUKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c29-16-23-18-31-26(32-23)27(35)33-25-9-8-21(15-24(25)20-5-2-1-3-6-20)19-10-13-34(14-11-19)28(36)22-7-4-12-30-17-22/h4-5,7-9,12,15,17-19H,1-3,6,10-11,13-14H2,(H,31,32)(H,33,35).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.91, 5 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-(pyridine-3-carbonyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11612700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).