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

C26H28N8O — CID 138590492

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

N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 138590492) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
• PubChem CID: 138590492
• Molecular Formula: C26H28N8O
• Molecular Weight: 468.57 g/mol
• Exact Mass: 468.24
• IUPAC Name: N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
• SMILES: CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5ccc(N(C)C)nc5)cnc4cn3)ccn2)CC1
• InChI: InChI=1S/C26H28N8O/c1-32(2)24-5-4-19(15-30-24)21-12-20-13-23(29-17-22(20)28-16-21)31-26(35)18-6-7-27-25(14-18)34-10-8-33(3)9-11-34/h4-7,12-17H,8-11H2,1-3H3,(H,29,31,35)
• InChIKey: BHVZDYWVUQVLJG-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 90.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.57
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 138590492) is N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

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

The canonical SMILES for N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5ccc(N(C)C)nc5)cnc4cn3)ccn2)CC1.

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

The InChIKey is BHVZDYWVUQVLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O/c1-32(2)24-5-4-19(15-30-24)21-12-20-13-23(29-17-22(20)28-16-21)31-26(35)18-6-7-27-25(14-18)34-10-8-33(3)9-11-34/h4-7,12-17H,8-11H2,1-3H3,(H,29,31,35).

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

N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 468.57 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 138590492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).