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

C23H24N8O — CID 138587297

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

N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 138587297) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
• PubChem CID: 138587297
• Molecular Formula: C23H24N8O
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.21
• IUPAC Name: N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
• SMILES: CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncn5C)ncc4cn3)ccn2)CC1
• InChI: InChI=1S/C23H24N8O/c1-29-5-7-31(8-6-29)22-11-16(3-4-25-22)23(32)28-21-10-17-9-19(20-14-24-15-30(20)2)26-12-18(17)13-27-21/h3-4,9-15H,5-8H2,1-2H3,(H,27,28,32)
• InChIKey: KJWGCTSPQZVKPY-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 N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?

The IUPAC name of N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 138587297) is N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

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

The canonical SMILES for N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncn5C)ncc4cn3)ccn2)CC1.

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

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

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

N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-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 N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 138587297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).