1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile

C20H15BrN2O — CID 142264655

IUPAC1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2)n(Cc2cccc(Br)c2)c(=O)c1C#N
InChIInChI=1S/C20H15BrN2O/c1-14-10-19(16-7-3-2-4-8-16)23(20(24)18(14)12-22)13-15-6-5-9-17(21)11-15/h2-11H,13H2,1H3
InChIKeyPXDBZDKEFJEFED-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.51
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile

1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile (PubChem CID 142264655) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
PubChem CID142264655
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2)n(Cc2cccc(Br)c2)c(=O)c1C#N
InChIInChI=1S/C20H15BrN2O/c1-14-10-19(16-7-3-2-4-8-16)23(20(24)18(14)12-22)13-15-6-5-9-17(21)11-15/h2-11H,13H2,1H3
InChIKeyPXDBZDKEFJEFED-UHFFFAOYSA-N
XLogP4.51
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340516
1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(N-methylanilino)phenyl]-2-oxopyridine-3-carbonitrile
CID 142264568
1-[(2,3-dimethylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67341009
1-[4-[4-(3-cyano-4-methyl-2-oxo-6-phenyl-1-pyridinyl)phenyl]sulfonylphenyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 66553470
1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 142264542
1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine
CID 132509993
3-[(3-bromophenyl)methyl]-4-phenyl-1H-imidazole-2-thione
CID 63550445
1-benzyl-2-oxo-7-propan-2-ylcyclohepta[b]pyrrole-3-carbonitrile
CID 10425007
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
1-[(4-chloro-2-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67338831
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide
CID 20885262

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile (CID 142264655) is 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile is Cc1cc(-c2ccccc2)n(Cc2cccc(Br)c2)c(=O)c1C#N.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile?
The InChIKey is PXDBZDKEFJEFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O/c1-14-10-19(16-7-3-2-4-8-16)23(20(24)18(14)12-22)13-15-6-5-9-17(21)11-15/h2-11H,13H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile?
1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile has a molecular weight of 379.26 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 142264655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).