6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C27H29N5O2 — CID 58093812

About 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58093812) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
• PubChem CID: 58093812
• Molecular Formula: C27H29N5O2
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.23
• IUPAC Name: 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
• SMILES: CCCCc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)n1
• InChI: InChI=1S/C27H29N5O2/c1-2-3-5-20-6-4-7-23(29-20)24-18-19-12-13-28-27(33)25(19)26(31-24)30-21-8-10-22(11-9-21)32-14-16-34-17-15-32/h4,6-13,18H,2-3,5,14-17H2,1H3,(H,28,33)(H,30,31)
• InChIKey: AHODXHXUBYXGMD-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?

The IUPAC name of 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58093812) is 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is CCCCc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)n1.

What is the InChIKey of 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?

The InChIKey is AHODXHXUBYXGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-2-3-5-20-6-4-7-23(29-20)24-18-19-12-13-28-27(33)25(19)26(31-24)30-21-8-10-22(11-9-21)32-14-16-34-17-15-32/h4,6-13,18H,2-3,5,14-17H2,1H3,(H,28,33)(H,30,31).

What are the key properties of 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?

6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 455.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).