N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride

C12H22Cl2N4O — CID 119599671

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cnccn1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-9(2)6-12(3,8-13)16-11(17)10-7-14-4-5-15-10;;/h4-5,7,9H,6,8,13H2,1-3H3,(H,16,17);2*1H
InChIKeyNMBRGUQFOFSVES-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.81
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride (PubChem CID 119599671) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride
PubChem CID119599671
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cnccn1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-9(2)6-12(3,8-13)16-11(17)10-7-14-4-5-15-10;;/h4-5,7,9H,6,8,13H2,1-3H3,(H,16,17);2*1H
InChIKeyNMBRGUQFOFSVES-UHFFFAOYSA-N
XLogP1.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119600390
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-4-methylpentan-2-yl)pyrazine-2-carboxamide
CID 63888138
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119597806
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dimethylbutanamide;hydrochloride
CID 119597747
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide
CID 119598860
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride (CID 119599671) is N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride is CC(C)CC(C)(CN)NC(=O)c1cnccn1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride?
The InChIKey is NMBRGUQFOFSVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-9(2)6-12(3,8-13)16-11(17)10-7-14-4-5-15-10;;/h4-5,7,9H,6,8,13H2,1-3H3,(H,16,17);2*1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)pyrazine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119599671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).