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Pilsicainide

C17H24N2O — CID 4820

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CC12CCCN1CCC2
InChIInChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)
InChIKeyBCQTVJKBTWGHCX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.26
Rot. Bonds3

About Pilsicainide

Pilsicainide (PubChem CID 4820) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide.

Molecular Properties

Compound NamePilsicainide
PubChem CID4820
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CC12CCCN1CCC2
InChIInChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)
InChIKeyBCQTVJKBTWGHCX-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrocaine
CID 24361
4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide
CID 2099229
N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 740669
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 2795841
Spiro(indoline-3,3'-pyrrolidin)-2-one, 1'-ethyl-
CID 3042071
Spiro(3H-indole-3,3'-pyrrolidin)-2(1H)-one, 1'-ethyl-7-methyl-, hydrochloride (1:1)
CID 3042072
1-cyclohexyl-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883815
1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (2,6-dimethyl-phenyl)-amide
CID 652475
1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 3602652
5-Dodecyl-2-oxo-pyrrolidine-3-carboxylic acid (2,6-diisopropyl-phenyl)-amide
CID 10321846

Frequently Asked Questions

What is the IUPAC name of Pilsicainide?
The IUPAC name of Pilsicainide (CID 4820) is N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide.
What is the SMILES notation for Pilsicainide?
The canonical SMILES for Pilsicainide is Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2.
What is the InChIKey of Pilsicainide?
The InChIKey is BCQTVJKBTWGHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20).
What are the key properties of Pilsicainide?
Pilsicainide has a molecular weight of 272.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Pilsicainide is sourced from PubChem (CID 4820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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