N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C11H14F3N3O — CID 65193836

IUPACN-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(CN)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3O/c1-2-8(5-15)17-10(18)7-3-4-9(16-6-7)11(12,13)14/h3-4,6,8H,2,5,15H2,1H3,(H,17,18)
InChIKeyTZPGJAJCRHEPNU-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.57
Rot. Bonds4

About N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 65193836) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID65193836
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(CN)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3O/c1-2-8(5-15)17-10(18)7-3-4-9(16-6-7)11(12,13)14/h3-4,6,8H,2,5,15H2,1H3,(H,17,18)
InChIKeyTZPGJAJCRHEPNU-UHFFFAOYSA-N
XLogP1.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634
N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119667500
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771
N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119570954
N-(1-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104671529
3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 43638815
(2R)-3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 80749875
4-amino-4-oxo-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 43638813
N-(4-methylpent-1-yn-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114202428

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 65193836) is N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCC(CN)NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is TZPGJAJCRHEPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-2-8(5-15)17-10(18)7-3-4-9(16-6-7)11(12,13)14/h3-4,6,8H,2,5,15H2,1H3,(H,17,18).
What are the key properties of N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 65193836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).