N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

C14H21ClF3N3O — CID 119585454

IUPACN-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C14H20F3N3O.ClH/c1-8(2)6-10(7-18)20-13(21)11-4-5-12(14(15,16)17)19-9(11)3;/h4-5,8,10H,6-7,18H2,1-3H3,(H,20,21);1H
InChIKeyMWUBEGKPQWSQRO-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.93
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 119585454) has the molecular formula C14H21ClF3N3O and a molecular weight of 339.79 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID119585454
Molecular FormulaC14H21ClF3N3O
Molecular Weight339.79 g/mol
Exact Mass339.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C14H20F3N3O.ClH/c1-8(2)6-10(7-18)20-13(21)11-4-5-12(14(15,16)17)19-9(11)3;/h4-5,8,10H,6-7,18H2,1-3H3,(H,20,21);1H
InChIKeyMWUBEGKPQWSQRO-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 120506183
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97311248
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119494830
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345
N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119581336
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119586687

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (CID 119585454) is N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is Cc1nc(C(F)(F)F)ccc1C(=O)NC(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is MWUBEGKPQWSQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O.ClH/c1-8(2)6-10(7-18)20-13(21)11-4-5-12(14(15,16)17)19-9(11)3;/h4-5,8,10H,6-7,18H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 339.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119585454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).