2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide

C16H22N4O — CID 43646607

IUPAC2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1ncc2ccc(N)cc21
InChIInChI=1S/C16H22N4O/c1-11(16(21)19-14-5-3-2-4-6-14)20-15-9-13(17)8-7-12(15)10-18-20/h7-11,14H,2-6,17H2,1H3,(H,19,21)
InChIKeyLDJGIWGXDMMRBI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.63
Rot. Bonds3

About 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide

2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide (PubChem CID 43646607) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide
PubChem CID43646607
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1ncc2ccc(N)cc21
InChIInChI=1S/C16H22N4O/c1-11(16(21)19-14-5-3-2-4-6-14)20-15-9-13(17)8-7-12(15)10-18-20/h7-11,14H,2-6,17H2,1H3,(H,19,21)
InChIKeyLDJGIWGXDMMRBI-UHFFFAOYSA-N
XLogP2.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide (CID 43646607) is 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)n1ncc2ccc(N)cc21.
What is the InChIKey of 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide?
The InChIKey is LDJGIWGXDMMRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(16(21)19-14-5-3-2-4-6-14)20-15-9-13(17)8-7-12(15)10-18-20/h7-11,14H,2-6,17H2,1H3,(H,19,21).
What are the key properties of 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide?
2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide is sourced from PubChem (CID 43646607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).