1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one

C24H23F3N2O2 — CID 10224456

IUPAC1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1c(-c2ccc(C(F)(F)F)cc2)cccn1C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)20-10-8-18(9-11-20)21-7-4-12-29(23(21)30)22(19-5-2-1-3-6-19)17-28-13-15-31-16-14-28/h1-12,22H,13-17H2
InChIKeyNTNGSUZTJSVAHC-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.46
Rot. Bonds5

About 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 10224456) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID10224456
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1c(-c2ccc(C(F)(F)F)cc2)cccn1C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)20-10-8-18(9-11-20)21-7-4-12-29(23(21)30)22(19-5-2-1-3-6-19)17-28-13-15-31-16-14-28/h1-12,22H,13-17H2
InChIKeyNTNGSUZTJSVAHC-UHFFFAOYSA-N
XLogP4.46
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 10224456) is 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one is O=c1c(-c2ccc(C(F)(F)F)cc2)cccn1C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is NTNGSUZTJSVAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c25-24(26,27)20-10-8-18(9-11-20)21-7-4-12-29(23(21)30)22(19-5-2-1-3-6-19)17-28-13-15-31-16-14-28/h1-12,22H,13-17H2.
What are the key properties of 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 428.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 10224456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).