N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide

C24H22N6O3 — CID 46191726

About N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide (PubChem CID 46191726) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide
• PubChem CID: 46191726
• Molecular Formula: C24H22N6O3
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.18
• IUPAC Name: N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide
• SMILES: COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC
• InChI: InChI=1S/C24H22N6O3/c1-15-8-16(11-26-10-15)20-9-18(19(13-28-20)21-14-25-6-7-27-21)23(31)29-12-17-4-5-22(32-2)24(30-17)33-3/h4-11,13-14H,12H2,1-3H3,(H,29,31)
• InChIKey: OJJNSRCTOROYOQ-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 112.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide?

The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide (CID 46191726) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide.

What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide?

The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC.

What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide?

The InChIKey is OJJNSRCTOROYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-15-8-16(11-26-10-15)20-9-18(19(13-28-20)21-14-25-6-7-27-21)23(31)29-12-17-4-5-22(32-2)24(30-17)33-3/h4-11,13-14H,12H2,1-3H3,(H,29,31).

What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide?

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 46191726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).