3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide

C25H26N8O2 — CID 138590958

About 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide

3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide (PubChem CID 138590958) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide
• PubChem CID: 138590958
• Molecular Formula: C25H26N8O2
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.22
• IUPAC Name: 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide
• SMILES: Cc1cc(C(=O)Nc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cnc1C(N)=O
• InChI: InChI=1S/C25H26N8O2/c1-15-9-17(12-28-23(15)24(26)34)25(35)31-22-10-21-16(11-27-22)3-4-20(30-21)18-13-29-33(14-18)19-5-7-32(2)8-6-19/h3-4,9-14,19H,5-8H2,1-2H3,(H2,26,34)(H,27,31,35)
• InChIKey: RXFXCXYHRPQHEX-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 131.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide?

The IUPAC name of 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide (CID 138590958) is 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide.

What is the SMILES notation for 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide?

The canonical SMILES for 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide is Cc1cc(C(=O)Nc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cnc1C(N)=O.

What is the InChIKey of 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide?

The InChIKey is RXFXCXYHRPQHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-15-9-17(12-28-23(15)24(26)34)25(35)31-22-10-21-16(11-27-22)3-4-20(30-21)18-13-29-33(14-18)19-5-7-32(2)8-6-19/h3-4,9-14,19H,5-8H2,1-2H3,(H2,26,34)(H,27,31,35).

What are the key properties of 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide?

3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide has a molecular weight of 470.54 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 138590958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).