2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

C16H15F3N2O3 — CID 24599022

IUPAC2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)10-24-9-12-5-3-11(4-6-12)8-21-15(23)13-2-1-7-20-14(13)22/h1-7H,8-10H2,(H,20,22)(H,21,23)
InChIKeyTVABKVINIVTRKH-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.38
Rot. Bonds6

About 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 24599022) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID24599022
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)10-24-9-12-5-3-11(4-6-12)8-21-15(23)13-2-1-7-20-14(13)22/h1-7H,8-10H2,(H,20,22)(H,21,23)
InChIKeyTVABKVINIVTRKH-UHFFFAOYSA-N
XLogP2.38
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 47074838
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
CID 26063547
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
N-[(4-ethoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46858927
N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 37391009
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 31610697
N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126810317
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56798194
5-(methoxymethyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 86918391
2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30357957
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (CID 24599022) is 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is TVABKVINIVTRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c17-16(18,19)10-24-9-12-5-3-11(4-6-12)8-21-15(23)13-2-1-7-20-14(13)22/h1-7H,8-10H2,(H,20,22)(H,21,23).
What are the key properties of 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24599022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).