2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide

C35H29Br2N9O4 — CID 159606026

About 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide

2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 159606026) has the molecular formula C35H29Br2N9O4 and a molecular weight of 799.48 g/mol. Its IUPAC name is 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
• PubChem CID: 159606026
• Molecular Formula: C35H29Br2N9O4
• Molecular Weight: 799.48 g/mol
• Exact Mass: 797.07
• IUPAC Name: 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
• SMILES: Nc1ncc(-c2cccnc2)cc1C(=O)Nc1ccccc1.Nc1ncc(Br)cc1C(=O)Nc1ccccc1.Nc1ncc(Br)cc1C(=O)O
• InChI: InChI=1S/C17H14N4O.C12H10BrN3O.C6H5BrN2O2/c18-16-15(17(22)21-14-6-2-1-3-7-14)9-13(11-20-16)12-5-4-8-19-10-12;13-8-6-10(11(14)15-7-8)12(17)16-9-4-2-1-3-5-9;7-3-1-4(6(10)11)5(8)9-2-3/h1-11H,(H2,18,20)(H,21,22);1-7H,(H2,14,15)(H,16,17);1-2H,(H2,8,9)(H,10,11)
• InChIKey: MMBZNPUBKTZLBC-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 225.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	799.48
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide?

The IUPAC name of 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide (CID 159606026) is 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide.

What is the SMILES notation for 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide?

The canonical SMILES for 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide is Nc1ncc(-c2cccnc2)cc1C(=O)Nc1ccccc1.Nc1ncc(Br)cc1C(=O)Nc1ccccc1.Nc1ncc(Br)cc1C(=O)O.

What is the InChIKey of 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide?

The InChIKey is MMBZNPUBKTZLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O.C12H10BrN3O.C6H5BrN2O2/c18-16-15(17(22)21-14-6-2-1-3-7-14)9-13(11-20-16)12-5-4-8-19-10-12;13-8-6-10(11(14)15-7-8)12(17)16-9-4-2-1-3-5-9;7-3-1-4(6(10)11)5(8)9-2-3/h1-11H,(H2,18,20)(H,21,22);1-7H,(H2,14,15)(H,16,17);1-2H,(H2,8,9)(H,10,11).

What are the key properties of 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide?

2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 799.48 g/mol, XLogP of 6.78, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromo-N-phenylpyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-phenyl-5-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 159606026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).