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

C19H16BrN3O — CID 109176245

IUPAC2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(Nc3ccccc3Br)c2)c1
InChIInChI=1S/C19H16BrN3O/c1-13-5-4-6-15(11-13)22-19(24)14-9-10-21-18(12-14)23-17-8-3-2-7-16(17)20/h2-12H,1H3,(H,21,23)(H,22,24)
InChIKeyGFIAMDDCSQEBHV-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.15
Rot. Bonds4

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

2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide (PubChem CID 109176245) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
PubChem CID109176245
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(Nc3ccccc3Br)c2)c1
InChIInChI=1S/C19H16BrN3O/c1-13-5-4-6-15(11-13)22-19(24)14-9-10-21-18(12-14)23-17-8-3-2-7-16(17)20/h2-12H,1H3,(H,21,23)(H,22,24)
InChIKeyGFIAMDDCSQEBHV-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-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109176250
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172134
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112864909
2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109177254

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide (CID 109176245) is 2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(Nc3ccccc3Br)c2)c1.
What is the InChIKey of 2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide?
The InChIKey is GFIAMDDCSQEBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13-5-4-6-15(11-13)22-19(24)14-9-10-21-18(12-14)23-17-8-3-2-7-16(17)20/h2-12H,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide?
2-(2-bromoanilino)-N-(3-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-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109176245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).