N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride

C16H25ClN4O — CID 119599173

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)Cc1[nH]nc2ccccc12.Cl
InChIInChI=1S/C16H24N4O.ClH/c1-11(2)9-16(3,10-17)18-15(21)8-14-12-6-4-5-7-13(12)19-20-14;/h4-7,11H,8-10,17H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyAIYPXCXDBYDLQW-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.41
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride (PubChem CID 119599173) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
PubChem CID119599173
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)Cc1[nH]nc2ccccc12.Cl
InChIInChI=1S/C16H24N4O.ClH/c1-11(2)9-16(3,10-17)18-15(21)8-14-12-6-4-5-7-13(12)19-20-14;/h4-7,11H,8-10,17H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyAIYPXCXDBYDLQW-UHFFFAOYSA-N
XLogP2.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119574460
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119599008
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
N-(1-amino-2,4-dimethylpentan-2-yl)-2-naphthalen-2-ylacetamide;hydrochloride
CID 119597467
N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119600049
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 119369285
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726
(2S)-2-[[2-[[2-(2H-indazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695229

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride (CID 119599173) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)Cc1[nH]nc2ccccc12.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride?
The InChIKey is AIYPXCXDBYDLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.ClH/c1-11(2)9-16(3,10-17)18-15(21)8-14-12-6-4-5-7-13(12)19-20-14;/h4-7,11H,8-10,17H2,1-3H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride has a molecular weight of 324.86 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119599173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).