2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride

C14H21ClN4O — CID 119305696

IUPAC2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc2cnn(CC)c2c1.Cl
InChIInChI=1S/C14H20N4O.ClH/c1-3-5-12(15)14(19)17-11-7-6-10-9-16-18(4-2)13(10)8-11;/h6-9,12H,3-5,15H2,1-2H3,(H,17,19);1H
InChIKeyIYOZTRXDWDJRCP-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.54
Rot. Bonds5

About 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride

2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride (PubChem CID 119305696) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride
PubChem CID119305696
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc2cnn(CC)c2c1.Cl
InChIInChI=1S/C14H20N4O.ClH/c1-3-5-12(15)14(19)17-11-7-6-10-9-16-18(4-2)13(10)8-11;/h6-9,12H,3-5,15H2,1-2H3,(H,17,19);1H
InChIKeyIYOZTRXDWDJRCP-UHFFFAOYSA-N
XLogP2.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride (CID 119305696) is 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc2cnn(CC)c2c1.Cl.
What is the InChIKey of 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride?
The InChIKey is IYOZTRXDWDJRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.ClH/c1-3-5-12(15)14(19)17-11-7-6-10-9-16-18(4-2)13(10)8-11;/h6-9,12H,3-5,15H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride?
2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119305696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).