N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H13F3N2O3 — CID 66006257

IUPACN-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CC(O)C1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-2-1-8(11(20)17-9)10(19)16-5-6-3-7(18)4-6/h1-2,6-7,18H,3-5H2,(H,16,19)(H,17,20)
InChIKeyFWTWCBLFWBZGPV-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.89
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 66006257) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID66006257
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CC(O)C1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-2-1-8(11(20)17-9)10(19)16-5-6-3-7(18)4-6/h1-2,6-7,18H,3-5H2,(H,16,19)(H,17,20)
InChIKeyFWTWCBLFWBZGPV-UHFFFAOYSA-N
XLogP0.89
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43394503
3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43415900
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 60957131
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63294748
N-(3-hydroxybutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64459930
N-[(2-hydroxycyclopentyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65834245
N-(3-hydroxycyclobutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65972684
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65994558
N-(4-hydroxy-2-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 66106873
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-(5-hydroxypentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 80294557

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 66006257) is N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCC1CC(O)C1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FWTWCBLFWBZGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)9-2-1-8(11(20)17-9)10(19)16-5-6-3-7(18)4-6/h1-2,6-7,18H,3-5H2,(H,16,19)(H,17,20).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66006257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).