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

C19H16BrN3O — CID 109197124

IUPAC5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Nc3ccccc3)cn2)ccc1Br
InChIInChI=1S/C19H16BrN3O/c1-13-11-15(7-9-17(13)20)23-19(24)18-10-8-16(12-21-18)22-14-5-3-2-4-6-14/h2-12,22H,1H3,(H,23,24)
InChIKeyLWGNKUDHCACPKY-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.15
Rot. Bonds4

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

5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109197124) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
PubChem CID109197124
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Nc3ccccc3)cn2)ccc1Br
InChIInChI=1S/C19H16BrN3O/c1-13-11-15(7-9-17(13)20)23-19(24)18-10-8-16(12-21-18)22-14-5-3-2-4-6-14/h2-12,22H,1H3,(H,23,24)
InChIKeyLWGNKUDHCACPKY-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-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969
2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249
5-anilino-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109197061
N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185609
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide
CID 47460528
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194687
6-[(4-bromo-3-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453090

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide (CID 109197124) is 5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(Nc3ccccc3)cn2)ccc1Br.
What is the InChIKey of 5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is LWGNKUDHCACPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13-11-15(7-9-17(13)20)23-19(24)18-10-8-16(12-21-18)22-14-5-3-2-4-6-14/h2-12,22H,1H3,(H,23,24).
What are the key properties of 5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide?
5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-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-(4-bromo-3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109197124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).