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

C11H13F3N2O3 — CID 43417949

IUPACN-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-2-6(5-17)15-9(18)7-3-4-8(11(12,13)14)16-10(7)19/h3-4,6,17H,2,5H2,1H3,(H,15,18)(H,16,19)
InChIKeyBFRSZGCKWRHLQD-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.89
Rot. Bonds4

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

N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 43417949) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID43417949
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-2-6(5-17)15-9(18)7-3-4-8(11(12,13)14)16-10(7)19/h3-4,6,17H,2,5H2,1H3,(H,15,18)(H,16,19)
InChIKeyBFRSZGCKWRHLQD-UHFFFAOYSA-N
XLogP0.89
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
CID 164643183
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 25030822
N-[(2R)-1-methoxypropan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 32069418
N-[(2S)-1-methoxypropan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 32069428
3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43170270
3-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43170378
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43171619
3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43360814
N-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43394531
methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate
CID 43409718

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 43417949) is N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is BFRSZGCKWRHLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-2-6(5-17)15-9(18)7-3-4-8(11(12,13)14)16-10(7)19/h3-4,6,17H,2,5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43417949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).