N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid

C46H41ClN12O3 — CID 162019320

About N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid

N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid (PubChem CID 162019320) has the molecular formula C46H41ClN12O3 and a molecular weight of 845.37 g/mol. Its IUPAC name is N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
• PubChem CID: 162019320
• Molecular Formula: C46H41ClN12O3
• Molecular Weight: 845.37 g/mol
• Exact Mass: 844.31
• IUPAC Name: N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
• SMILES: Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2C)ccn1.Cc1cc(-c2ncc(CNCl)cc2C)ccn1.O=C(O)c1ccc(-c2cnccn2)cn1
• InChI: InChI=1S/C23H20N6O.C13H14ClN3.C10H7N3O2/c1-15-9-17(11-28-22(15)18-5-6-25-16(2)10-18)12-29-23(30)20-4-3-19(13-27-20)21-14-24-7-8-26-21;1-9-5-11(8-17-14)7-16-13(9)12-3-4-15-10(2)6-12;14-10(15)8-2-1-7(5-13-8)9-6-11-3-4-12-9/h3-11,13-14H,12H2,1-2H3,(H,29,30);3-7,17H,8H2,1-2H3;1-6H,(H,14,15)
• InChIKey: YUNOLEKFQVVBNF-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 207.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	845.37
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?

The IUPAC name of N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid (CID 162019320) is N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid.

What is the SMILES notation for N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?

The canonical SMILES for N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid is Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)cn3)cc2C)ccn1.Cc1cc(-c2ncc(CNCl)cc2C)ccn1.O=C(O)c1ccc(-c2cnccn2)cn1.

What is the InChIKey of N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?

The InChIKey is YUNOLEKFQVVBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O.C13H14ClN3.C10H7N3O2/c1-15-9-17(11-28-22(15)18-5-6-25-16(2)10-18)12-29-23(30)20-4-3-19(13-27-20)21-14-24-7-8-26-21;1-9-5-11(8-17-14)7-16-13(9)12-3-4-15-10(2)6-12;14-10(15)8-2-1-7(5-13-8)9-6-11-3-4-12-9/h3-11,13-14H,12H2,1-2H3,(H,29,30);3-7,17H,8H2,1-2H3;1-6H,(H,14,15).

What are the key properties of N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?

N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid has a molecular weight of 845.37 g/mol, XLogP of 7.78, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-chloro-1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 162019320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).