4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide

C28H26N8O — CID 11956436

About 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide

4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide (PubChem CID 11956436) has the molecular formula C28H26N8O and a molecular weight of 490.57 g/mol. Its IUPAC name is 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide
• PubChem CID: 11956436
• Molecular Formula: C28H26N8O
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.22
• IUPAC Name: 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide
• SMILES: Cc1nc(NC(=O)c2ccc(CN3C=CN(C)C=C3)cc2)ccc1Nc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C28H26N8O/c1-20-24(32-28-30-13-11-25(33-28)23-4-3-12-29-18-23)9-10-26(31-20)34-27(37)22-7-5-21(6-8-22)19-36-16-14-35(2)15-17-36/h3-18H,19H2,1-2H3,(H,30,32,33)(H,31,34,37)
• InChIKey: FFDUPQXPPBQIOA-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 99.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide?

The IUPAC name of 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide (CID 11956436) is 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide.

What is the SMILES notation for 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide?

The canonical SMILES for 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide is Cc1nc(NC(=O)c2ccc(CN3C=CN(C)C=C3)cc2)ccc1Nc1nccc(-c2cccnc2)n1.

What is the InChIKey of 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide?

The InChIKey is FFDUPQXPPBQIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O/c1-20-24(32-28-30-13-11-25(33-28)23-4-3-12-29-18-23)9-10-26(31-20)34-27(37)22-7-5-21(6-8-22)19-36-16-14-35(2)15-17-36/h3-18H,19H2,1-2H3,(H,30,32,33)(H,31,34,37).

What are the key properties of 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide?

4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide has a molecular weight of 490.57 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-methylpyrazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 11956436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).