2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

C15H19F3N2O4 — CID 171786984

IUPAC2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESO=C(CC1(O)CCOCC1)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O4/c16-15(17,18)10-24-13-7-11(1-4-19-13)9-20-12(21)8-14(22)2-5-23-6-3-14/h1,4,7,22H,2-3,5-6,8-10H2,(H,20,21)
InChIKeyYNTWSORDHIUWLZ-UHFFFAOYSA-N
MW348.32 g/mol
LogP1.57
Rot. Bonds6

About 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (PubChem CID 171786984) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
PubChem CID171786984
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Name2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESO=C(CC1(O)CCOCC1)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O4/c16-15(17,18)10-24-13-7-11(1-4-19-13)9-20-12(21)8-14(22)2-5-23-6-3-14/h1,4,7,22H,2-3,5-6,8-10H2,(H,20,21)
InChIKeyYNTWSORDHIUWLZ-UHFFFAOYSA-N
XLogP1.57
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
CID 178036109
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787055
1-(1-bicyclo[1.1.1]pentanyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 162524382
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787086
1-[2-[1-(1,1-difluoroethyl)cyclopropyl]-2-hydroxyethyl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 170431035

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (CID 171786984) is 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is O=C(CC1(O)CCOCC1)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The InChIKey is YNTWSORDHIUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c16-15(17,18)10-24-13-7-11(1-4-19-13)9-20-12(21)8-14(22)2-5-23-6-3-14/h1,4,7,22H,2-3,5-6,8-10H2,(H,20,21).
What are the key properties of 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide has a molecular weight of 348.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 171786984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).