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

C21H19BrN2O2 — CID 26843761

IUPAC1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C21H19BrN2O2/c1-2-16-6-3-4-8-19(16)23-20(25)18-7-5-13-24(21(18)26)14-15-9-11-17(22)12-10-15/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyTWEOVKCDHHJTFC-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.47
Rot. Bonds5

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

1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 26843761) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide
PubChem CID26843761
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC Name1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C21H19BrN2O2/c1-2-16-6-3-4-8-19(16)23-20(25)18-7-5-13-24(21(18)26)14-15-9-11-17(22)12-10-15/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyTWEOVKCDHHJTFC-UHFFFAOYSA-N
XLogP4.47
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 26843789
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382640
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
CID 7598033
N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843720
1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7422717
1-benzyl-N-(2,3-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 7422695
N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597913
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
1-[(4-chlorophenyl)methyl]-N-(2-cyanophenyl)-2-oxopyridine-3-carboxamide
CID 7598034
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598727
N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843723

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide (CID 26843761) is 1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide is CCc1ccccc1NC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is TWEOVKCDHHJTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c1-2-16-6-3-4-8-19(16)23-20(25)18-7-5-13-24(21(18)26)14-15-9-11-17(22)12-10-15/h3-13H,2,14H2,1H3,(H,23,25).
What are the key properties of 1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide?
1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 411.30 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 26843761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).