N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide

C27H23ClN2O2 — CID 139649230

IUPACN-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1
InChIInChI=1S/C27H23ClN2O2/c1-18-12-14-20(15-13-18)17-30-19(2)16-24(31)25(26(30)21-8-4-3-5-9-21)27(32)29-23-11-7-6-10-22(23)28/h3-16H,17H2,1-2H3,(H,29,32)
InChIKeyMGZIVLVCKYJCPN-UHFFFAOYSA-N
MW442.95 g/mol
LogP6.09
Rot. Bonds5

About N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide

N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide (PubChem CID 139649230) has the molecular formula C27H23ClN2O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide
PubChem CID139649230
Molecular FormulaC27H23ClN2O2
Molecular Weight442.95 g/mol
Exact Mass442.14
IUPAC NameN-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1
InChIInChI=1S/C27H23ClN2O2/c1-18-12-14-20(15-13-18)17-30-19(2)16-24(31)25(26(30)21-8-4-3-5-9-21)27(32)29-23-11-7-6-10-22(23)28/h3-16H,17H2,1-2H3,(H,29,32)
InChIKeyMGZIVLVCKYJCPN-UHFFFAOYSA-N
XLogP6.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide (CID 139649230) is N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide is Cc1ccc(Cn2c(C)cc(=O)c(C(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide?
The InChIKey is MGZIVLVCKYJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O2/c1-18-12-14-20(15-13-18)17-30-19(2)16-24(31)25(26(30)21-8-4-3-5-9-21)27(32)29-23-11-7-6-10-22(23)28/h3-16H,17H2,1-2H3,(H,29,32).
What are the key properties of N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide?
N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 139649230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).