methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate

C20H19NO2 — CID 101023603

IUPACmethyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(Cc2ccccc2)C=CC1c1ccccc1
InChIInChI=1S/C20H19NO2/c1-23-20(22)19-15-21(14-16-8-4-2-5-9-16)13-12-18(19)17-10-6-3-7-11-17/h2-13,15,18H,14H2,1H3
InChIKeyZJWXAJHLHOWUID-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.86
Rot. Bonds4

About methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate

methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 101023603) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID101023603
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(Cc2ccccc2)C=CC1c1ccccc1
InChIInChI=1S/C20H19NO2/c1-23-20(22)19-15-21(14-16-8-4-2-5-9-16)13-12-18(19)17-10-6-3-7-11-17/h2-13,15,18H,14H2,1H3
InChIKeyZJWXAJHLHOWUID-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate
CID 71508599
dimethyl 1-[(4-chlorophenyl)methyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 175446612
dimethyl 1-benzyl-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295292
dimethyl 1-[(4-chlorophenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 4591437
dimethyl 2-[(4R)-1-benzyl-3-methoxycarbonyl-4,5-dihydroazepin-4-yl]propanedioate
CID 15891310
dimethyl 4-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4692682
dimethyl 4-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4170111
methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 141114945
dimethyl 4-(4-methylphenyl)-4H-pyridine-1,3-dicarboxylate
CID 134933594
methyl (1S,5R,6R)-2-benzyl-6-phenyl-8-oxa-2-azabicyclo[3.2.1]oct-3-ene-4-carboxylate
CID 101017502
dimethyl 4-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 1287213
1-benzyl-4-(3-oxo-1-phenylbutyl)-4H-pyridine-3-carboxamide
CID 23252399

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate (CID 101023603) is methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate is COC(=O)C1=CN(Cc2ccccc2)C=CC1c1ccccc1.
What is the InChIKey of methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is ZJWXAJHLHOWUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-23-20(22)19-15-21(14-16-8-4-2-5-9-16)13-12-18(19)17-10-6-3-7-11-17/h2-13,15,18H,14H2,1H3.
What are the key properties of methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate?
methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 101023603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).