prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate

C23H23NO2 — CID 134843182

IUPACprop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESC=CCOC(=O)C1=C(C)N(Cc2ccccc2)C=CC1c1ccccc1
InChIInChI=1S/C23H23NO2/c1-3-16-26-23(25)22-18(2)24(17-19-10-6-4-7-11-19)15-14-21(22)20-12-8-5-9-13-20/h3-15,21H,1,16-17H2,2H3
InChIKeyQQNGASMRKWZSEQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.80
Rot. Bonds6

About prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate

prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 134843182) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID134843182
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Nameprop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESC=CCOC(=O)C1=C(C)N(Cc2ccccc2)C=CC1c1ccccc1
InChIInChI=1S/C23H23NO2/c1-3-16-26-23(25)22-18(2)24(17-19-10-6-4-7-11-19)15-14-21(22)20-12-8-5-9-13-20/h3-15,21H,1,16-17H2,2H3
InChIKeyQQNGASMRKWZSEQ-UHFFFAOYSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 1-benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10620479
Dimethyl 1-benzyl-4-(2,5-difluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1336676
(3R,4R)-1-Benzyl-3-phenyl-piperidine-4-carboxylic acid ethyl ester
CID 16682153
Diethyl 2-methyl-4,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10810475
diethyl 1-benzoyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 12777191
methyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate
CID 71508561
ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate
CID 71508596
Ethyl 4,6-diphenyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 90656509
diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 1015745
ethyl 1-(4-fluorophenyl)-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 11439125
ethyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 45483899
Ethyl 2-acetyl-3-phenyl-1,2-dihydro-4-isoquinolinecarboxylate
CID 372864

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate (CID 134843182) is prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate is C=CCOC(=O)C1=C(C)N(Cc2ccccc2)C=CC1c1ccccc1.
What is the InChIKey of prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is QQNGASMRKWZSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-3-16-26-23(25)22-18(2)24(17-19-10-6-4-7-11-19)15-14-21(22)20-12-8-5-9-13-20/h3-15,21H,1,16-17H2,2H3.
What are the key properties of prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 134843182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).