2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide

C27H29ClN2O2 — CID 23040010

IUPAC2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(-c2cccc(Cl)c2)n(CC2CCCCC2)c(C)cc1=O
InChIInChI=1S/C27H29ClN2O2/c1-18-9-6-7-14-23(18)29-27(32)25-24(31)15-19(2)30(17-20-10-4-3-5-11-20)26(25)21-12-8-13-22(28)16-21/h6-9,12-16,20H,3-5,10-11,17H2,1-2H3,(H,29,32)
InChIKeyUVSSLCMBVZGGPS-UHFFFAOYSA-N
MW448.99 g/mol
LogP6.62
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide

2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide (PubChem CID 23040010) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide
PubChem CID23040010
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC Name2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(-c2cccc(Cl)c2)n(CC2CCCCC2)c(C)cc1=O
InChIInChI=1S/C27H29ClN2O2/c1-18-9-6-7-14-23(18)29-27(32)25-24(31)15-19(2)30(17-20-10-4-3-5-11-20)26(25)21-12-8-13-22(28)16-21/h6-9,12-16,20H,3-5,10-11,17H2,1-2H3,(H,29,32)
InChIKeyUVSSLCMBVZGGPS-UHFFFAOYSA-N
XLogP6.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.99
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide (CID 23040010) is 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide is Cc1ccccc1NC(=O)c1c(-c2cccc(Cl)c2)n(CC2CCCCC2)c(C)cc1=O.
What is the InChIKey of 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is UVSSLCMBVZGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2/c1-18-9-6-7-14-23(18)29-27(32)25-24(31)15-19(2)30(17-20-10-4-3-5-11-20)26(25)21-12-8-13-22(28)16-21/h6-9,12-16,20H,3-5,10-11,17H2,1-2H3,(H,29,32).
What are the key properties of 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 448.99 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).