4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide

C20H23FN2O2 — CID 122141274

IUPAC4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H23FN2O2/c1-3-14-8-10-22-18(12-14)20(24)23(2)17-9-11-25-19(13-17)15-4-6-16(21)7-5-15/h4-8,10,12,17,19H,3,9,11,13H2,1-2H3
InChIKeyAEEBGXUMUBGHBB-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.78
Rot. Bonds4

About 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide

4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 122141274) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID122141274
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H23FN2O2/c1-3-14-8-10-22-18(12-14)20(24)23(2)17-9-11-25-19(13-17)15-4-6-16(21)7-5-15/h4-8,10,12,17,19H,3,9,11,13H2,1-2H3
InChIKeyAEEBGXUMUBGHBB-UHFFFAOYSA-N
XLogP3.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide (CID 122141274) is 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide is CCc1ccnc(C(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)c1.
What is the InChIKey of 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is AEEBGXUMUBGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-3-14-8-10-22-18(12-14)20(24)23(2)17-9-11-25-19(13-17)15-4-6-16(21)7-5-15/h4-8,10,12,17,19H,3,9,11,13H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide?
4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122141274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).