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

C30H29ClN2O2 — CID 23040411

IUPAC2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(-c2cccc(Cl)c2)n(-c2ccccc2C)c(C)cc1=O
InChIInChI=1S/C30H29ClN2O2/c1-5-21-12-9-13-22(6-2)28(21)32-30(35)27-26(34)17-20(4)33(25-16-8-7-11-19(25)3)29(27)23-14-10-15-24(31)18-23/h7-18H,5-6H2,1-4H3,(H,32,35)
InChIKeyLCCZBICOVFPMON-UHFFFAOYSA-N
MW485.03 g/mol
LogP7.15
Rot. Bonds6

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

2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide (PubChem CID 23040411) has the molecular formula C30H29ClN2O2 and a molecular weight of 485.03 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide
PubChem CID23040411
Molecular FormulaC30H29ClN2O2
Molecular Weight485.03 g/mol
Exact Mass484.19
IUPAC Name2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(-c2cccc(Cl)c2)n(-c2ccccc2C)c(C)cc1=O
InChIInChI=1S/C30H29ClN2O2/c1-5-21-12-9-13-22(6-2)28(21)32-30(35)27-26(34)17-20(4)33(25-16-8-7-11-19(25)3)29(27)23-14-10-15-24(31)18-23/h7-18H,5-6H2,1-4H3,(H,32,35)
InChIKeyLCCZBICOVFPMON-UHFFFAOYSA-N
XLogP7.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.03
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide (CID 23040411) is 2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(-c2cccc(Cl)c2)n(-c2ccccc2C)c(C)cc1=O.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is LCCZBICOVFPMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN2O2/c1-5-21-12-9-13-22(6-2)28(21)32-30(35)27-26(34)17-20(4)33(25-16-8-7-11-19(25)3)29(27)23-14-10-15-24(31)18-23/h7-18H,5-6H2,1-4H3,(H,32,35).
What are the key properties of 2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 485.03 g/mol, XLogP of 7.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).