prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C24H21FN2O3 — CID 42854205

IUPACprop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESC=CCOC(=O)C1=C(C)N(Cc2ccccc2C#N)C(=O)CC1c1ccccc1F
InChIInChI=1S/C24H21FN2O3/c1-3-12-30-24(29)23-16(2)27(15-18-9-5-4-8-17(18)14-26)22(28)13-20(23)19-10-6-7-11-21(19)25/h3-11,20H,1,12-13,15H2,2H3
InChIKeyVZDYNGIJPPAKQZ-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.22
Rot. Bonds6

About prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 42854205) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID42854205
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Nameprop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESC=CCOC(=O)C1=C(C)N(Cc2ccccc2C#N)C(=O)CC1c1ccccc1F
InChIInChI=1S/C24H21FN2O3/c1-3-12-30-24(29)23-16(2)27(15-18-9-5-4-8-17(18)14-26)22(28)13-20(23)19-10-6-7-11-21(19)25/h3-11,20H,1,12-13,15H2,2H3
InChIKeyVZDYNGIJPPAKQZ-UHFFFAOYSA-N
XLogP4.22
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 1-[(2-cyanophenyl)methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 42854297
prop-2-enyl 1-[(3-cyanophenyl)methyl]-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854248
2-methylpropyl 1-[(2-cyanophenyl)methyl]-4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854390
ethyl 4-(2-fluorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854031
2-methoxyethyl 4-(2-chlorophenyl)-1-[(2,3-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854155
prop-2-enyl 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42854723
propan-2-yl 1-[(3,4-difluorophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854789
2-methylpropyl (4R)-4-(2,4-difluorophenyl)-1-[(2,3-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93331695
2-methylpropyl (4S)-1-[(2,3-difluorophenyl)methyl]-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 93331888
benzyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate
CID 42854576
ethyl 1-[(2,3-difluorophenyl)methyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854070
ethyl 1-[[4-(3,3-diphenylpropylcarbamoyl)phenyl]methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3469835

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 42854205) is prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is C=CCOC(=O)C1=C(C)N(Cc2ccccc2C#N)C(=O)CC1c1ccccc1F.
What is the InChIKey of prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is VZDYNGIJPPAKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-3-12-30-24(29)23-16(2)27(15-18-9-5-4-8-17(18)14-26)22(28)13-20(23)19-10-6-7-11-21(19)25/h3-11,20H,1,12-13,15H2,2H3.
What are the key properties of prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 404.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-[(2-cyanophenyl)methyl]-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42854205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).