5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide

C19H16BrN3O — CID 109241609

IUPAC5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C19H16BrN3O/c1-13-7-8-18(17(20)9-13)23-19(24)14-10-16(12-21-11-14)22-15-5-3-2-4-6-15/h2-12,22H,1H3,(H,23,24)
InChIKeyFWCHTGDRDXJYDO-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.15
Rot. Bonds4

About 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide

5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 109241609) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide
PubChem CID109241609
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C19H16BrN3O/c1-13-7-8-18(17(20)9-13)23-19(24)14-10-16(12-21-11-14)22-15-5-3-2-4-6-15/h2-12,22H,1H3,(H,23,24)
InChIKeyFWCHTGDRDXJYDO-UHFFFAOYSA-N
XLogP5.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242069
3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101490
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109242702
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109241968
N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109243068
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide (CID 109241609) is 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3ccccc3)c2)c(Br)c1.
What is the InChIKey of 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is FWCHTGDRDXJYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13-7-8-18(17(20)9-13)23-19(24)14-10-16(12-21-11-14)22-15-5-3-2-4-6-15/h2-12,22H,1H3,(H,23,24).
What are the key properties of 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide?
5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109241609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).