N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide

C15H14N2O4 — CID 2471206

IUPACN-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O4/c1-2-19-15-11(4-3-7-16-15)14(18)17-10-5-6-12-13(8-10)21-9-20-12/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyBSTXWQQGQDXCFI-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.46
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide (PubChem CID 2471206) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide
PubChem CID2471206
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O4/c1-2-19-15-11(4-3-7-16-15)14(18)17-10-5-6-12-13(8-10)21-9-20-12/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyBSTXWQQGQDXCFI-UHFFFAOYSA-N
XLogP2.46
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-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 N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide (CID 2471206) is N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is BSTXWQQGQDXCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-19-15-11(4-3-7-16-15)14(18)17-10-5-6-12-13(8-10)21-9-20-12/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2471206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).