Lacidipine

C₂₆H₃₃NO₆ — CID 5311217

About Lacidipine

Lacidipine (PubChem CID 5311217) has the molecular formula C₂₆H₃₃NO₆ and a molecular weight of 455.55 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

• Compound Name: Lacidipine
• PubChem CID: 5311217
• Molecular Formula: C₂₆H₃₃NO₆
• Molecular Weight: 455.55 g/mol
• Exact Mass: 455.23
• IUPAC Name: diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
• SMILES: CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C
• InChI: InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+
• InChIKey: GKQPCPXONLDCMU-CCEZHUSRSA-N
• XLogP: 4.40
• TPSA: 90.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.55
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Lacidipine?

The IUPAC name of Lacidipine (CID 5311217) is diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.

What is the SMILES notation for Lacidipine?

The canonical SMILES for Lacidipine is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C.

What is the InChIKey of Lacidipine?

The InChIKey is GKQPCPXONLDCMU-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+.

What are the key properties of Lacidipine?

Lacidipine has a molecular weight of 455.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Lacidipine is sourced from PubChem (CID 5311217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5311217 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1532 — approved-drug record (CC BY-SA 4.0)

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