2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one

C₂₃H₂₈N₂O₃ — CID 130206330

About 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one

2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one (PubChem CID 130206330) has the molecular formula C₂₃H₂₈N₂O₃ and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one.

Molecular Properties

• Compound Name: 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one
• PubChem CID: 130206330
• Molecular Formula: C₂₃H₂₈N₂O₃
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.21
• IUPAC Name: 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one
• SMILES: CCCCOc1ccc(C2(C)CC(c3ccc(OC)nc3)=C(C)C(=O)N2)cc1
• InChI: InChI=1S/C23H28N2O3/c1-5-6-13-28-19-10-8-18(9-11-19)23(3)14-20(16(2)22(26)25-23)17-7-12-21(27-4)24-15-17/h7-12,15H,5-6,13-14H2,1-4H3,(H,25,26)
• InChIKey: QYFKUSHAYWWMRW-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one?

The IUPAC name of 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one (CID 130206330) is 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one.

What is the SMILES notation for 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one?

The canonical SMILES for 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one is CCCCOc1ccc(C2(C)CC(c3ccc(OC)nc3)=C(C)C(=O)N2)cc1.

What is the InChIKey of 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one?

The InChIKey is QYFKUSHAYWWMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-6-13-28-19-10-8-18(9-11-19)23(3)14-20(16(2)22(26)25-23)17-7-12-21(27-4)24-15-17/h7-12,15H,5-6,13-14H2,1-4H3,(H,25,26).

What are the key properties of 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one?

2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one has a molecular weight of 380.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 130206330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130206330 — identifiers, structure, computed properties (public domain)

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