5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C15H15BrN2O2 — CID 126648643

IUPAC5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Br)c[nH]c2=O)c1
InChIInChI=1S/C15H15BrN2O2/c1-10-4-3-5-11(6-10)9-18(2)15(20)13-7-12(16)8-17-14(13)19/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyJCVYCULVIFFJFS-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.72
Rot. Bonds3

About 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126648643) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126648643
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Br)c[nH]c2=O)c1
InChIInChI=1S/C15H15BrN2O2/c1-10-4-3-5-11(6-10)9-18(2)15(20)13-7-12(16)8-17-14(13)19/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyJCVYCULVIFFJFS-UHFFFAOYSA-N
XLogP2.72
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethylsulfonyl-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 154783171
5-bromo-N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 126648546
5-bromo-N-methyl-2-oxo-N-(quinoxalin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 126648599
3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952081
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
5-N-ethyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126749858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 126648643) is 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc(CN(C)C(=O)c2cc(Br)c[nH]c2=O)c1.
What is the InChIKey of 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JCVYCULVIFFJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-4-3-5-11(6-10)9-18(2)15(20)13-7-12(16)8-17-14(13)19/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126648643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).