Disopyramide

C₂₁H₂₉N₃O — CID 3114

About Disopyramide

Disopyramide (PubChem CID 3114) has the molecular formula C₂₁H₂₉N₃O and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide.

Molecular Properties

• Compound Name: Disopyramide
• PubChem CID: 3114
• Molecular Formula: C₂₁H₂₉N₃O
• Molecular Weight: 339.48 g/mol
• Exact Mass: 339.23
• IUPAC Name: 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide
• SMILES: CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
• InChI: InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
• InChIKey: UVTNFZQICZKOEM-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 59.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.48
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Disopyramide?

The IUPAC name of Disopyramide (CID 3114) is 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide.

What is the SMILES notation for Disopyramide?

The canonical SMILES for Disopyramide is CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.

What is the InChIKey of Disopyramide?

The InChIKey is UVTNFZQICZKOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25).

What are the key properties of Disopyramide?

Disopyramide has a molecular weight of 339.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Disopyramide is sourced from PubChem (CID 3114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3114 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 926 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.