N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide

C19H16BrN3O — CID 109176276

IUPACN-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)Nc3cccc(Br)c3)ccn2)c1
InChIInChI=1S/C19H16BrN3O/c1-13-4-2-6-16(10-13)22-18-11-14(8-9-21-18)19(24)23-17-7-3-5-15(20)12-17/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyUZDANWWFFUFKDH-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.15
Rot. Bonds4

About N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide

N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide (PubChem CID 109176276) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
PubChem CID109176276
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)Nc3cccc(Br)c3)ccn2)c1
InChIInChI=1S/C19H16BrN3O/c1-13-4-2-6-16(10-13)22-18-11-14(8-9-21-18)19(24)23-17-7-3-5-15(20)12-17/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyUZDANWWFFUFKDH-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-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109176250
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
methyl 3-[[4-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109176715

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide (CID 109176276) is N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)Nc3cccc(Br)c3)ccn2)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide?
The InChIKey is UZDANWWFFUFKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13-4-2-6-16(10-13)22-18-11-14(8-9-21-18)19(24)23-17-7-3-5-15(20)12-17/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide?
N-(3-bromophenyl)-2-(3-methylanilino)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 N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109176276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).