4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride

C15H26ClN3O2 — CID 119598253

IUPAC4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC(=O)c1cc(C(=O)NC(C)(CN)CC(C)C)n(C)c1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-10(2)7-15(4,9-16)17-14(20)13-6-12(11(3)19)8-18(13)5;/h6,8,10H,7,9,16H2,1-5H3,(H,17,20);1H
InChIKeyGWAVFINKLMSTDC-UHFFFAOYSA-N
MW315.85 g/mol
LogP2.14
Rot. Bonds6

About 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride

4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119598253) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID119598253
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC(=O)c1cc(C(=O)NC(C)(CN)CC(C)C)n(C)c1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-10(2)7-15(4,9-16)17-14(20)13-6-12(11(3)19)8-18(13)5;/h6,8,10H,7,9,16H2,1-5H3,(H,17,20);1H
InChIKeyGWAVFINKLMSTDC-UHFFFAOYSA-N
XLogP2.14
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119260997
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107845337
N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115309756
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride (CID 119598253) is 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride is CC(=O)c1cc(C(=O)NC(C)(CN)CC(C)C)n(C)c1.Cl.
What is the InChIKey of 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is GWAVFINKLMSTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c1-10(2)7-15(4,9-16)17-14(20)13-6-12(11(3)19)8-18(13)5;/h6,8,10H,7,9,16H2,1-5H3,(H,17,20);1H.
What are the key properties of 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride?
4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119598253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).