N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride

C11H15ClF3N3O2 — CID 119627243

IUPACN-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.Cl
InChIInChI=1S/C11H14F3N3O2.ClH/c1-10(2,15)5-16-8(18)6-3-4-7(11(12,13)14)17-9(6)19;/h3-4H,5,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyANKKFAGQJZCPBT-UHFFFAOYSA-N
MW313.71 g/mol
LogP1.28
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119627243) has the molecular formula C11H15ClF3N3O2 and a molecular weight of 313.71 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119627243
Molecular FormulaC11H15ClF3N3O2
Molecular Weight313.71 g/mol
Exact Mass313.08
IUPAC NameN-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.Cl
InChIInChI=1S/C11H14F3N3O2.ClH/c1-10(2,15)5-16-8(18)6-3-4-7(11(12,13)14)17-9(6)19;/h3-4H,5,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyANKKFAGQJZCPBT-UHFFFAOYSA-N
XLogP1.28
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110907
N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 111825067
N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106164652
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81341001
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 80717407
N-(1,3-dihydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65310475
N-(9H-fluoren-9-ylmethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464804
N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39192446
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63294748
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
N-[1,1-bis(4-hydroxyphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464328

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (CID 119627243) is N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is ANKKFAGQJZCPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2.ClH/c1-10(2,15)5-16-8(18)6-3-4-7(11(12,13)14)17-9(6)19;/h3-4H,5,15H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 313.71 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119627243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).