6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

C19H16BrN3O2 — CID 109163992

IUPAC6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Nc3cccc(Br)c3)nc2)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-7-3-6-16(11-17)23-19(24)13-8-9-18(21-12-13)22-15-5-2-4-14(20)10-15/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyNXGJURRDGKWLKZ-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.85
Rot. Bonds5

About 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109163992) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109163992
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Nc3cccc(Br)c3)nc2)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-7-3-6-16(11-17)23-19(24)13-8-9-18(21-12-13)22-15-5-2-4-14(20)10-15/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyNXGJURRDGKWLKZ-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

3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
N-(3-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109163087
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-bromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248318
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 109163992) is 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2ccc(Nc3cccc(Br)c3)nc2)c1.
What is the InChIKey of 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is NXGJURRDGKWLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-25-17-7-3-6-16(11-17)23-19(24)13-8-9-18(21-12-13)22-15-5-2-4-14(20)10-15/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-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 6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).