ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide

C20H24F4N2O3 — CID 145146002

IUPACethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide
SMILESCC.CCc1cc(C(O)(CNC=O)C(F)(F)F)nc(-c2ccc(F)cc2)c1OC
InChIInChI=1S/C18H18F4N2O3.C2H6/c1-3-11-8-14(17(26,9-23-10-25)18(20,21)22)24-15(16(11)27-2)12-4-6-13(19)7-5-12;1-2/h4-8,10,26H,3,9H2,1-2H3,(H,23,25);1-2H3
InChIKeyNHRRNQRSNGSIES-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.98
Rot. Bonds7

About ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide

ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide (PubChem CID 145146002) has the molecular formula C20H24F4N2O3 and a molecular weight of 416.42 g/mol. Its IUPAC name is ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide.

Molecular Properties

Compound Nameethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide
PubChem CID145146002
Molecular FormulaC20H24F4N2O3
Molecular Weight416.42 g/mol
Exact Mass416.17
IUPAC Nameethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide
SMILESCC.CCc1cc(C(O)(CNC=O)C(F)(F)F)nc(-c2ccc(F)cc2)c1OC
InChIInChI=1S/C18H18F4N2O3.C2H6/c1-3-11-8-14(17(26,9-23-10-25)18(20,21)22)24-15(16(11)27-2)12-4-6-13(19)7-5-12;1-2/h4-8,10,26H,3,9H2,1-2H3,(H,23,25);1-2H3
InChIKeyNHRRNQRSNGSIES-UHFFFAOYSA-N
XLogP3.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide with MolForge

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Related Compounds

(2R)-2-[[6-(3,4-difluoro-5-methoxyphenyl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312869
(2R)-2-[[3-fluoro-6-[3-(trifluoromethoxy)phenyl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312486
2-(Tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol
CID 21428403
(3R,5R,10S)-3-[3-methoxy-6-(trifluoromethyl)pyridin-2-yl]-10-phenyl-1-oxa-9-azaspiro[4.5]decane
CID 20651460
3-[3-Hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol
CID 22000214
(2R)-2-[[3-fluoro-6-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312439
(2R)-2-[[3-fluoro-6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312779
(2R)-2-[[3-fluoro-6-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312800
(2R)-2-[[3-fluoro-6-[3-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312813
(2R)-2-[[3-fluoro-6-[2-fluoro-5-(trifluoromethoxy)phenyl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312844
2-(2,6-Dimethylpyridin-3-yl)oxyethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine
CID 68844821
4-(6-Fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid
CID 69448367

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide?
The IUPAC name of ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide (CID 145146002) is ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide.
What is the SMILES notation for ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide?
The canonical SMILES for ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide is CC.CCc1cc(C(O)(CNC=O)C(F)(F)F)nc(-c2ccc(F)cc2)c1OC.
What is the InChIKey of ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide?
The InChIKey is NHRRNQRSNGSIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O3.C2H6/c1-3-11-8-14(17(26,9-23-10-25)18(20,21)22)24-15(16(11)27-2)12-4-6-13(19)7-5-12;1-2/h4-8,10,26H,3,9H2,1-2H3,(H,23,25);1-2H3.
What are the key properties of ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide?
ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide has a molecular weight of 416.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[4-ethyl-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]formamide is sourced from PubChem (CID 145146002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).