N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide

C23H22N4O3 — CID 20946798

About N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide

N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide (PubChem CID 20946798) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
• PubChem CID: 20946798
• Molecular Formula: C23H22N4O3
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.17
• IUPAC Name: N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
• SMILES: Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCCCc1ccco1
• InChI: InChI=1S/C23H22N4O3/c1-16-19(22(28)25-10-3-6-18-7-4-12-30-18)13-20-21(26-16)8-11-27(23(20)29)15-17-5-2-9-24-14-17/h2,4-5,7-9,11-14H,3,6,10,15H2,1H3,(H,25,28)
• InChIKey: OKBXTUJCOVLMNU-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide?

The IUPAC name of N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide (CID 20946798) is N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide?

The canonical SMILES for N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide is Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCCCc1ccco1.

What is the InChIKey of N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide?

The InChIKey is OKBXTUJCOVLMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16-19(22(28)25-10-3-6-18-7-4-12-30-18)13-20-21(26-16)8-11-27(23(20)29)15-17-5-2-9-24-14-17/h2,4-5,7-9,11-14H,3,6,10,15H2,1H3,(H,25,28).

What are the key properties of N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide?

N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 20946798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).