5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

C35H39BrN12O5 — CID 158905694

About 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 158905694) has the molecular formula C35H39BrN12O5 and a molecular weight of 787.68 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• PubChem CID: 158905694
• Molecular Formula: C35H39BrN12O5
• Molecular Weight: 787.68 g/mol
• Exact Mass: 786.23
• IUPAC Name: 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.COc1ncc(Br)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1ncc(C)cc1C(=O)O
• InChI: InChI=1S/C17H17BrN6O2.C10H13N5.C8H9NO3/c1-10(2)24-9-20-23-15(24)13-5-4-6-14(21-13)22-16(25)12-7-11(18)8-19-17(12)26-3;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-5-3-6(8(10)11)7(12-2)9-4-5/h4-10H,1-3H3,(H,21,22,25);3-7H,1-2H3,(H2,11,13);3-4H,1-2H3,(H,10,11)
• InChIKey: JGABAEVXRGKPFY-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 223.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	787.68
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The IUPAC name of 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 158905694) is 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

What is the SMILES notation for 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The canonical SMILES for 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is CC(C)n1cnnc1-c1cccc(N)n1.COc1ncc(Br)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1ncc(C)cc1C(=O)O.

What is the InChIKey of 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The InChIKey is JGABAEVXRGKPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN6O2.C10H13N5.C8H9NO3/c1-10(2)24-9-20-23-15(24)13-5-4-6-14(21-13)22-16(25)12-7-11(18)8-19-17(12)26-3;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-5-3-6(8(10)11)7(12-2)9-4-5/h4-10H,1-3H3,(H,21,22,25);3-7H,1-2H3,(H2,11,13);3-4H,1-2H3,(H,10,11).

What are the key properties of 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 787.68 g/mol, XLogP of 5.94, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxy-5-methylpyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 158905694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).