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

C20H21N3O4 — CID 11958486

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CC
InChIInChI=1S/C20H21N3O4/c1-3-23-20(25-4-2)15-7-6-14(10-16(15)22-23)19(24)21-11-13-5-8-17-18(9-13)27-12-26-17/h5-10H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyOUPKSZCDBCMSOB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.11
Rot. Bonds6

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

N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide (PubChem CID 11958486) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide
PubChem CID11958486
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CC
InChIInChI=1S/C20H21N3O4/c1-3-23-20(25-4-2)15-7-6-14(10-16(15)22-23)19(24)21-11-13-5-8-17-18(9-13)27-12-26-17/h5-10H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyOUPKSZCDBCMSOB-UHFFFAOYSA-N
XLogP3.11
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.11
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
3-ethoxy-2-methyl-N-piperonyl-indazole-6-carboxamide
CID 11958405
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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide (CID 11958486) is N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide is CCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CC.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide?
The InChIKey is OUPKSZCDBCMSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-23-20(25-4-2)15-7-6-14(10-16(15)22-23)19(24)21-11-13-5-8-17-18(9-13)27-12-26-17/h5-10H,3-4,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.11, 6 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-ethylindazole-6-carboxamide is sourced from PubChem (CID 11958486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).