[4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone

C27H34N4O3 — CID 53132265

About [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone

[4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 53132265) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
• PubChem CID: 53132265
• Molecular Formula: C27H34N4O3
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.26
• IUPAC Name: [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
• SMILES: CCOc1ccc(OCC)c(Nc2c(C(=O)N3CCCCC3CC)cnc3nc(C)ccc23)c1
• InChI: InChI=1S/C27H34N4O3/c1-5-19-10-8-9-15-31(19)27(32)22-17-28-26-21(13-11-18(4)29-26)25(22)30-23-16-20(33-6-2)12-14-24(23)34-7-3/h11-14,16-17,19H,5-10,15H2,1-4H3,(H,28,29,30)
• InChIKey: HHYCDDZZHFSWIY-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone?

The IUPAC name of [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone (CID 53132265) is [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone.

What is the SMILES notation for [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone?

The canonical SMILES for [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone is CCOc1ccc(OCC)c(Nc2c(C(=O)N3CCCCC3CC)cnc3nc(C)ccc23)c1.

What is the InChIKey of [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone?

The InChIKey is HHYCDDZZHFSWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-5-19-10-8-9-15-31(19)27(32)22-17-28-26-21(13-11-18(4)29-26)25(22)30-23-16-20(33-6-2)12-14-24(23)34-7-3/h11-14,16-17,19H,5-10,15H2,1-4H3,(H,28,29,30).

What are the key properties of [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone?

[4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 462.59 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 53132265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).