6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one

C22H20F3NO2 — CID 66827719

IUPAC6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one
SMILESC=C(OCc1ccccc1)C1=C(C)NC(=O)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3NO2/c1-14-21(15(2)28-13-16-6-4-3-5-7-16)19(12-20(27)26-14)17-8-10-18(11-9-17)22(23,24)25/h3-11,19H,2,12-13H2,1H3,(H,26,27)
InChIKeyZFKXTNLWEQPAIS-UHFFFAOYSA-N
MW387.40 g/mol
LogP5.31
Rot. Bonds5

About 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one

6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one (PubChem CID 66827719) has the molecular formula C22H20F3NO2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one
PubChem CID66827719
Molecular FormulaC22H20F3NO2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one
SMILESC=C(OCc1ccccc1)C1=C(C)NC(=O)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F3NO2/c1-14-21(15(2)28-13-16-6-4-3-5-7-16)19(12-20(27)26-14)17-8-10-18(11-9-17)22(23,24)25/h3-11,19H,2,12-13H2,1H3,(H,26,27)
InChIKeyZFKXTNLWEQPAIS-UHFFFAOYSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one (CID 66827719) is 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one is C=C(OCc1ccccc1)C1=C(C)NC(=O)CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is ZFKXTNLWEQPAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO2/c1-14-21(15(2)28-13-16-6-4-3-5-7-16)19(12-20(27)26-14)17-8-10-18(11-9-17)22(23,24)25/h3-11,19H,2,12-13H2,1H3,(H,26,27).
What are the key properties of 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one?
6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 387.40 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(1-phenylmethoxyethenyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 66827719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).