2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide

C16H14N4O3 — CID 22693487

IUPAC2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNc1ccc2cnn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C16H14N4O3/c17-11-2-1-10-7-18-20(13(10)5-11)8-16(21)19-12-3-4-14-15(6-12)23-9-22-14/h1-7H,8-9,17H2,(H,19,21)
InChIKeyMNIXFOZIGHGQKX-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.99
Rot. Bonds3

About 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide

2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 22693487) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID22693487
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNc1ccc2cnn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C16H14N4O3/c17-11-2-1-10-7-18-20(13(10)5-11)8-16(21)19-12-3-4-14-15(6-12)23-9-22-14/h1-7H,8-9,17H2,(H,19,21)
InChIKeyMNIXFOZIGHGQKX-UHFFFAOYSA-N
XLogP1.99
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369041
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
2-(6-aminoindazol-1-yl)-N-benzylacetamide
CID 22693453
4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide
CID 65356994
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide
CID 94946290
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639
2-(4-aminophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24689811
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
2-(6-aminoindazol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 54957294
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999711

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide (CID 22693487) is 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide is Nc1ccc2cnn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is MNIXFOZIGHGQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c17-11-2-1-10-7-18-20(13(10)5-11)8-16(21)19-12-3-4-14-15(6-12)23-9-22-14/h1-7H,8-9,17H2,(H,19,21).
What are the key properties of 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 22693487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).