N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

C21H19BrN2O2 — CID 26843861

IUPACN-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)ccc1Br
InChIInChI=1S/C21H19BrN2O2/c1-14-5-3-4-6-16(14)12-24-13-17(7-10-20(24)25)21(26)23-18-8-9-19(22)15(2)11-18/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyRNQLXGSGDSJXPS-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.53
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 26843861) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID26843861
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC NameN-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)ccc1Br
InChIInChI=1S/C21H19BrN2O2/c1-14-5-3-4-6-16(14)12-24-13-17(7-10-20(24)25)21(26)23-18-8-9-19(22)15(2)11-18/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyRNQLXGSGDSJXPS-UHFFFAOYSA-N
XLogP4.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 112707571
1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 8671200
N-(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671500
N-(2,4-difluorophenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671220
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698220
N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996610
N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671462
N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671496
N-(3,4-difluorophenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698182
1-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671473
N-(3,4-dimethoxyphenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698205
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 26843861) is N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is RNQLXGSGDSJXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c1-14-5-3-4-6-16(14)12-24-13-17(7-10-20(24)25)21(26)23-18-8-9-19(22)15(2)11-18/h3-11,13H,12H2,1-2H3,(H,23,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 411.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 26843861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).