N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide

C20H15FN2O3 — CID 53148239

IUPACN-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1ccc(F)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H15FN2O3/c21-16-6-3-13(4-7-16)19-15(2-1-9-22-19)11-23-20(24)14-5-8-17-18(10-14)26-12-25-17/h1-10H,11-12H2,(H,23,24)
InChIKeyPIDNFSIYTSGHGB-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.55
Rot. Bonds4

About N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 53148239) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID53148239
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC NameN-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1ccc(F)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H15FN2O3/c21-16-6-3-13(4-7-16)19-15(2-1-9-22-19)11-23-20(24)14-5-8-17-18(10-14)26-12-25-17/h1-10H,11-12H2,(H,23,24)
InChIKeyPIDNFSIYTSGHGB-UHFFFAOYSA-N
XLogP3.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-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 N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide (CID 53148239) is N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCc1cccnc1-c1ccc(F)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PIDNFSIYTSGHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-16-6-3-13(4-7-16)19-15(2-1-9-22-19)11-23-20(24)14-5-8-17-18(10-14)26-12-25-17/h1-10H,11-12H2,(H,23,24).
What are the key properties of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 53148239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).