N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H17F3N2O3 — CID 61245745

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-7(2)5-8(6-19)17-11(20)9-3-4-10(13(14,15)16)18-12(9)21/h3-4,7-8,19H,5-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOPPKZQIKMKHRFJ-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.53
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 61245745) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID61245745
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-7(2)5-8(6-19)17-11(20)9-3-4-10(13(14,15)16)18-12(9)21/h3-4,7-8,19H,5-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOPPKZQIKMKHRFJ-UHFFFAOYSA-N
XLogP1.53
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 61245745) is N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)CC(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is OPPKZQIKMKHRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-7(2)5-8(6-19)17-11(20)9-3-4-10(13(14,15)16)18-12(9)21/h3-4,7-8,19H,5-6H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61245745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).