N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H17F3N2O3 — CID 62521559

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-3-12(4-2,7-19)18-11(21)8-5-6-9(13(14,15)16)17-10(8)20/h5-6,19H,3-4,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyLNFRHBXOXGRKJY-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.67
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 62521559) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID62521559
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c1-3-12(4-2,7-19)18-11(21)8-5-6-9(13(14,15)16)17-10(8)20/h5-6,19H,3-4,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyLNFRHBXOXGRKJY-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417949
N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43500842
N-(1-hydroxy-4-methylpentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 61245745
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 62519306
N-(1-hydroxy-2-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64555604
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 79247049
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 79252781
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81964926
N-[(2R)-1-hydroxybutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 103919724
N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 104981372
N-(1-hydroxy-3-methylpentan-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106166966
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106180447

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 62521559) is N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC(CC)(CO)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is LNFRHBXOXGRKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-3-12(4-2,7-19)18-11(21)8-5-6-9(13(14,15)16)17-10(8)20/h5-6,19H,3-4,7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 62521559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).