N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide

C19H19N3O4 — CID 11958405

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1C
InChIInChI=1S/C19H19N3O4/c1-3-24-19-14-6-5-13(9-15(14)21-22(19)2)18(23)20-10-12-4-7-16-17(8-12)26-11-25-16/h4-9H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyVSKXDVVFEUDKDM-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.63
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide (PubChem CID 11958405) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide
PubChem CID11958405
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1C
InChIInChI=1S/C19H19N3O4/c1-3-24-19-14-6-5-13(9-15(14)21-22(19)2)18(23)20-10-12-4-7-16-17(8-12)26-11-25-16/h4-9H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyVSKXDVVFEUDKDM-UHFFFAOYSA-N
XLogP2.63
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 2811299
CID 2811299
CID 6499837
CID 6499837
CID 11958393
CID 11958393
CID 11958395
CID 11958395
CID 11958402
CID 11958402
CID 11958403
CID 11958403
CID 11958404
CID 11958404
CID 11958407
CID 11958407
CID 11958412
CID 11958412
CID 11958416
CID 11958416
CID 11958421
CID 11958421
CID 11958433
CID 11958433

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide (CID 11958405) is N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide is CCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide?
The InChIKey is VSKXDVVFEUDKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-24-19-14-6-5-13(9-15(14)21-22(19)2)18(23)20-10-12-4-7-16-17(8-12)26-11-25-16/h4-9H,3,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-methylindazole-6-carboxamide is sourced from PubChem (CID 11958405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).