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

C11H13F3N2O2 — CID 43424634

IUPACN-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H13F3N2O2/c1-2-8(6-17)16-10(18)7-3-4-9(15-5-7)11(12,13)14/h3-5,8,17H,2,6H2,1H3,(H,16,18)
InChIKeyDXNBMPWVGYLYGC-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.60
Rot. Bonds4

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

N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 43424634) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID43424634
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H13F3N2O2/c1-2-8(6-17)16-10(18)7-3-4-9(15-5-7)11(12,13)14/h3-5,8,17H,2,6H2,1H3,(H,16,18)
InChIKeyDXNBMPWVGYLYGC-UHFFFAOYSA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 65193836
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
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
6-amino-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 124514500
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-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771
2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(4-methylpent-1-yn-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114202428
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 43424634) is N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCC(CO)NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DXNBMPWVGYLYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-8(6-17)16-10(18)7-3-4-9(15-5-7)11(12,13)14/h3-5,8,17H,2,6H2,1H3,(H,16,18).
What are the key properties of N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 43424634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).