2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide

C19H16BrN3O — CID 109176186

IUPAC2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(Nc2cccc(Br)c2)c1
InChIInChI=1S/C19H16BrN3O/c1-13-5-2-3-8-17(13)23-19(24)14-9-10-21-18(11-14)22-16-7-4-6-15(20)12-16/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyXBGAWETUUSUSLZ-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.15
Rot. Bonds4

About 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide

2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide (PubChem CID 109176186) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
PubChem CID109176186
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(Nc2cccc(Br)c2)c1
InChIInChI=1S/C19H16BrN3O/c1-13-5-2-3-8-17(13)23-19(24)14-9-10-21-18(11-14)22-16-7-4-6-15(20)12-16/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyXBGAWETUUSUSLZ-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

N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170111
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109176756
2-(2-methylanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176218
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177564

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide (CID 109176186) is 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide is Cc1ccccc1NC(=O)c1ccnc(Nc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is XBGAWETUUSUSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13-5-2-3-8-17(13)23-19(24)14-9-10-21-18(11-14)22-16-7-4-6-15(20)12-16/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide?
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-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 2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109176186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).