N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide

C17H14N2O4 — CID 2742887

IUPACN-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C17H14N2O4/c1-21-12-3-4-13-10(6-12)7-14(19-13)17(20)18-11-2-5-15-16(8-11)23-9-22-15/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyPJQYXRUEOJXMRG-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.16
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide (PubChem CID 2742887) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide
PubChem CID2742887
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C17H14N2O4/c1-21-12-3-4-13-10(6-12)7-14(19-13)17(20)18-11-2-5-15-16(8-11)23-9-22-15/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyPJQYXRUEOJXMRG-UHFFFAOYSA-N
XLogP3.16
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-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)-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide (CID 2742887) is N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is PJQYXRUEOJXMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-21-12-3-4-13-10(6-12)7-14(19-13)17(20)18-11-2-5-15-16(8-11)23-9-22-15/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 2742887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).