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

C12H13F3N2O3 — CID 80717407

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)8-2-1-7(10(20)17-8)9(19)16-5-11(6-18)3-4-11/h1-2,18H,3-6H2,(H,16,19)(H,17,20)
InChIKeyYHCVCWUNCDXYMZ-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.90
Rot. Bonds4

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

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 80717407) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID80717407
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)8-2-1-7(10(20)17-8)9(19)16-5-11(6-18)3-4-11/h1-2,18H,3-6H2,(H,16,19)(H,17,20)
InChIKeyYHCVCWUNCDXYMZ-UHFFFAOYSA-N
XLogP0.90
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 120888541
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 120888542
N-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110907
N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106164652
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 111825067
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63294748
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39192446
2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60999454
N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017222

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 80717407) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCC1(CO)CC1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YHCVCWUNCDXYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)8-2-1-7(10(20)17-8)9(19)16-5-11(6-18)3-4-11/h1-2,18H,3-6H2,(H,16,19)(H,17,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 80717407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).