N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride

C13H20Cl2F3N3O — CID 119607870

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(C(F)(F)F)nc1.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-8(2)12(3,7-17)19-11(20)9-4-5-10(18-6-9)13(14,15)16;;/h4-6,8H,7,17H2,1-3H3,(H,19,20);2*1H
InChIKeyARCJWHWFACRSBV-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.05
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119607870) has the molecular formula C13H20Cl2F3N3O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119607870
Molecular FormulaC13H20Cl2F3N3O
Molecular Weight362.22 g/mol
Exact Mass361.09
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(C(F)(F)F)nc1.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-8(2)12(3,7-17)19-11(20)9-4-5-10(18-6-9)13(14,15)16;;/h4-6,8H,7,17H2,1-3H3,(H,19,20);2*1H
InChIKeyARCJWHWFACRSBV-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119570954
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 65193836
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119607738
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (CID 119607870) is N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc(C(F)(F)F)nc1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is ARCJWHWFACRSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O.2ClH/c1-8(2)12(3,7-17)19-11(20)9-4-5-10(18-6-9)13(14,15)16;;/h4-6,8H,7,17H2,1-3H3,(H,19,20);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 362.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119607870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).