2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

C23H24N8O — CID 138587897

About 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (PubChem CID 138587897) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
• PubChem CID: 138587897
• Molecular Formula: C23H24N8O
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.21
• IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
• SMILES: CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5ccn(C)n5)cnc4cn3)ccn2)CC1
• InChI: InChI=1S/C23H24N8O/c1-29-7-9-31(10-8-29)22-13-16(3-5-24-22)23(32)27-21-12-17-11-18(14-25-20(17)15-26-21)19-4-6-30(2)28-19/h3-6,11-15H,7-10H2,1-2H3,(H,26,27,32)
• InChIKey: SIMCPYXCBHJLKH-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?

The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (CID 138587897) is 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5ccn(C)n5)cnc4cn3)ccn2)CC1.

What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?

The InChIKey is SIMCPYXCBHJLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-29-7-9-31(10-8-29)22-13-16(3-5-24-22)23(32)27-21-12-17-11-18(14-25-20(17)15-26-21)19-4-6-30(2)28-19/h3-6,11-15H,7-10H2,1-2H3,(H,26,27,32).

What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?

2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138587897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).