6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide

C24H26N8O2 — CID 66746307

About 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 66746307) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide
• PubChem CID: 66746307
• Molecular Formula: C24H26N8O2
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.22
• IUPAC Name: 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide
• SMILES: COc1ccccc1NC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1N(C)C1CCNCC1
• InChI: InChI=1S/C24H26N8O2/c1-32(17-7-9-26-10-8-17)20-11-22(31-23-15-27-16(12-25)13-28-23)29-14-18(20)24(33)30-19-5-3-4-6-21(19)34-2/h3-6,11,13-15,17,26H,7-10H2,1-2H3,(H,30,33)(H,28,29,31)
• InChIKey: WJYQHLSUHSUQRD-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 128.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide?

The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide (CID 66746307) is 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide is COc1ccccc1NC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1N(C)C1CCNCC1.

What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide?

The InChIKey is WJYQHLSUHSUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-32(17-7-9-26-10-8-17)20-11-22(31-23-15-27-16(12-25)13-28-23)29-14-18(20)24(33)30-19-5-3-4-6-21(19)34-2/h3-6,11,13-15,17,26H,7-10H2,1-2H3,(H,30,33)(H,28,29,31).

What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide?

6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyphenyl)-4-[methyl(piperidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 66746307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).