1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide

C25H24N2O4 — CID 47078302

IUPAC1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C25H24N2O4/c28-23(20-10-7-15-27(24(20)29)17-18-8-3-1-4-9-18)26-19-11-12-21-22(16-19)31-25(30-21)13-5-2-6-14-25/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,26,28)
InChIKeyHFBZDIFAKYQSDB-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.58
Rot. Bonds4

About 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide

1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide (PubChem CID 47078302) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
PubChem CID47078302
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C25H24N2O4/c28-23(20-10-7-15-27(24(20)29)17-18-8-3-1-4-9-18)26-19-11-12-21-22(16-19)31-25(30-21)13-5-2-6-14-25/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,26,28)
InChIKeyHFBZDIFAKYQSDB-UHFFFAOYSA-N
XLogP4.58
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide (CID 47078302) is 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide?
The InChIKey is HFBZDIFAKYQSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-23(20-10-7-15-27(24(20)29)17-18-8-3-1-4-9-18)26-19-11-12-21-22(16-19)31-25(30-21)13-5-2-6-14-25/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,26,28).
What are the key properties of 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide?
1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 47078302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).