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

C20H17BrN2O2 — CID 7598727

IUPACN-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)Nc3cccc(Br)c3)c2=O)cc1
InChIInChI=1S/C20H17BrN2O2/c1-14-7-9-15(10-8-14)13-23-11-3-6-18(20(23)25)19(24)22-17-5-2-4-16(21)12-17/h2-12H,13H2,1H3,(H,22,24)
InChIKeyPPJRKNJVZOIUSS-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.22
Rot. Bonds4

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

N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7598727) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7598727
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC NameN-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)Nc3cccc(Br)c3)c2=O)cc1
InChIInChI=1S/C20H17BrN2O2/c1-14-7-9-15(10-8-14)13-23-11-3-6-18(20(23)25)19(24)22-17-5-2-4-16(21)12-17/h2-12H,13H2,1H3,(H,22,24)
InChIKeyPPJRKNJVZOIUSS-UHFFFAOYSA-N
XLogP4.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7422772
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598067
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598774
1-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598870

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7598727) is N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1ccc(Cn2cccc(C(=O)Nc3cccc(Br)c3)c2=O)cc1.
What is the InChIKey of N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is PPJRKNJVZOIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-14-7-9-15(10-8-14)13-23-11-3-6-18(20(23)25)19(24)22-17-5-2-4-16(21)12-17/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).