N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide

C19H14BrClN2O2 — CID 66497387

IUPACN-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)c(Br)c1
InChIInChI=1S/C19H14BrClN2O2/c1-11-2-8-17(15(20)10-11)23-19(25)14-7-9-16(22-18(14)24)12-3-5-13(21)6-4-12/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyXZUKOGQNFYNQEB-UHFFFAOYSA-N
MW417.69 g/mol
LogP5.02
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide

N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 66497387) has the molecular formula C19H14BrClN2O2 and a molecular weight of 417.69 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID66497387
Molecular FormulaC19H14BrClN2O2
Molecular Weight417.69 g/mol
Exact Mass415.99
IUPAC NameN-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)c(Br)c1
InChIInChI=1S/C19H14BrClN2O2/c1-11-2-8-17(15(20)10-11)23-19(25)14-7-9-16(22-18(14)24)12-3-5-13(21)6-4-12/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyXZUKOGQNFYNQEB-UHFFFAOYSA-N
XLogP5.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.69
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 66497387) is N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XZUKOGQNFYNQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN2O2/c1-11-2-8-17(15(20)10-11)23-19(25)14-7-9-16(22-18(14)24)12-3-5-13(21)6-4-12/h2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 417.69 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66497387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).