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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2811299
Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-(2-furanylmethyl)-
CID 11958393
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-butyl-3-ethoxyindazole-6-carboxamide
CID 11958395
N-Benzyl-2-butyl-3-ethoxy-2H-indazole-6-carboxamide
CID 11958402
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958403
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide
CID 11958404
2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
CID 11958407
2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide
CID 11958412
N-(1,3-benzodioxol-5-ylmethyl)-2-butyl-3-ethoxyindazole-6-carboxamide
CID 11958416
3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide
CID 11958421
3-ethoxy-2-ethyl-N-o-anisyl-indazole-6-carboxamide
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).