1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide

C21H19BrN2O4 — CID 26843789

IUPAC1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1
InChIInChI=1S/C21H19BrN2O4/c1-27-16-9-10-19(28-2)18(12-16)23-20(25)17-4-3-11-24(21(17)26)13-14-5-7-15(22)8-6-14/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyLFYVGQGPFXVJPL-UHFFFAOYSA-N
MW443.30 g/mol
LogP3.93
Rot. Bonds6

About 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide

1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 26843789) has the molecular formula C21H19BrN2O4 and a molecular weight of 443.30 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
PubChem CID26843789
Molecular FormulaC21H19BrN2O4
Molecular Weight443.30 g/mol
Exact Mass442.05
IUPAC Name1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1
InChIInChI=1S/C21H19BrN2O4/c1-27-16-9-10-19(28-2)18(12-16)23-20(25)17-4-3-11-24(21(17)26)13-14-5-7-15(22)8-6-14/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyLFYVGQGPFXVJPL-UHFFFAOYSA-N
XLogP3.93
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598073
N-(2,4-dimethoxyphenyl)-1-[(4-ethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382645
N-(2,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382915
1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide
CID 26843761
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 1483550
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382620
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599441

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide (CID 26843789) is 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is LFYVGQGPFXVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4/c1-27-16-9-10-19(28-2)18(12-16)23-20(25)17-4-3-11-24(21(17)26)13-14-5-7-15(22)8-6-14/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide?
1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 443.30 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 26843789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).