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

C18H13Br2N3O — CID 23632626

IUPAC2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(Br)c1
InChIInChI=1S/C18H13Br2N3O/c19-12-6-8-14(9-7-12)23-18(24)16-5-2-10-21-17(16)22-15-4-1-3-13(20)11-15/h1-11H,(H,21,22)(H,23,24)
InChIKeyRAMCTBMDFOKBGR-UHFFFAOYSA-N
MW447.13 g/mol
LogP5.60
Rot. Bonds4

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

2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide (PubChem CID 23632626) has the molecular formula C18H13Br2N3O and a molecular weight of 447.13 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
PubChem CID23632626
Molecular FormulaC18H13Br2N3O
Molecular Weight447.13 g/mol
Exact Mass444.94
IUPAC Name2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(Br)c1
InChIInChI=1S/C18H13Br2N3O/c19-12-6-8-14(9-7-12)23-18(24)16-5-2-10-21-17(16)22-15-4-1-3-13(20)11-15/h1-11H,(H,21,22)(H,23,24)
InChIKeyRAMCTBMDFOKBGR-UHFFFAOYSA-N
XLogP5.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.13
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632769
N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
CID 23632442
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 23632649
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide (CID 23632626) is 2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide?
The InChIKey is RAMCTBMDFOKBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2N3O/c19-12-6-8-14(9-7-12)23-18(24)16-5-2-10-21-17(16)22-15-4-1-3-13(20)11-15/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide?
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide has a molecular weight of 447.13 g/mol, XLogP of 5.60, 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-(4-bromophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23632626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).