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

C19H16BrN3O2 — CID 109177974

IUPAC2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(Nc3cccc(Br)c3)c2)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-7-3-6-16(12-17)23-19(24)13-8-9-21-18(10-13)22-15-5-2-4-14(20)11-15/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyPLIPURONUILRIN-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.85
Rot. Bonds5

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

2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 109177974) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
PubChem CID109177974
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(Nc3cccc(Br)c3)c2)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-7-3-6-16(12-17)23-19(24)13-8-9-21-18(10-13)22-15-5-2-4-14(20)11-15/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyPLIPURONUILRIN-UHFFFAOYSA-N
XLogP4.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
2-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177953
N-(2,6-difluorophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178031
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178041
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
ethyl 4-[[2-(3-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178018

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide (CID 109177974) is 2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide is COc1cccc(NC(=O)c2ccnc(Nc3cccc(Br)c3)c2)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is PLIPURONUILRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-25-17-7-3-6-16(12-17)23-19(24)13-8-9-21-18(10-13)22-15-5-2-4-14(20)11-15/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide?
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).