N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide

C27H24N2O2 — CID 70357885

IUPACN-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2[nH]c(C)cc(=O)c2C(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H24N2O2/c1-19-10-9-13-22(16-19)26-25(24(30)17-20(2)28-26)27(31)29(23-14-7-4-8-15-23)18-21-11-5-3-6-12-21/h3-17H,18H2,1-2H3,(H,28,30)
InChIKeyMNGSZGUJHDDGBV-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.51
Rot. Bonds5

About N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide

N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide (PubChem CID 70357885) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
PubChem CID70357885
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2[nH]c(C)cc(=O)c2C(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H24N2O2/c1-19-10-9-13-22(16-19)26-25(24(30)17-20(2)28-26)27(31)29(23-14-7-4-8-15-23)18-21-11-5-3-6-12-21/h3-17H,18H2,1-2H3,(H,28,30)
InChIKeyMNGSZGUJHDDGBV-UHFFFAOYSA-N
XLogP5.51
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide (CID 70357885) is N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide is Cc1cccc(-c2[nH]c(C)cc(=O)c2C(=O)N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is MNGSZGUJHDDGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-19-10-9-13-22(16-19)26-25(24(30)17-20(2)28-26)27(31)29(23-14-7-4-8-15-23)18-21-11-5-3-6-12-21/h3-17H,18H2,1-2H3,(H,28,30).
What are the key properties of N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide?
N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70357885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).