N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

C11H15ClF3N3O — CID 120506183

IUPACN-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C11H14F3N3O.ClH/c1-6(5-15)16-10(18)8-3-4-9(11(12,13)14)17-7(8)2;/h3-4,6H,5,15H2,1-2H3,(H,16,18);1H/t6-;/m0./s1
InChIKeyFDKCCNJNUZJMJC-RGMNGODLSA-N
MW297.71 g/mol
LogP1.91
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 120506183) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID120506183
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C11H14F3N3O.ClH/c1-6(5-15)16-10(18)8-3-4-9(11(12,13)14)17-7(8)2;/h3-4,6H,5,15H2,1-2H3,(H,16,18);1H/t6-;/m0./s1
InChIKeyFDKCCNJNUZJMJC-RGMNGODLSA-N
XLogP1.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119585454
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97311248
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119494830
N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 120508416
N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119581336
3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-1-one
CID 167670286
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 95179199
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (CID 120506183) is N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is FDKCCNJNUZJMJC-RGMNGODLSA-N. The full InChI is InChI=1S/C11H14F3N3O.ClH/c1-6(5-15)16-10(18)8-3-4-9(11(12,13)14)17-7(8)2;/h3-4,6H,5,15H2,1-2H3,(H,16,18);1H/t6-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 297.71 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120506183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).