methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate

C24H21NO2 — CID 71508599

IUPACmethyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(Cc2ccccc2)C=CC1c1cccc2ccccc12
InChIInChI=1S/C24H21NO2/c1-27-24(26)23-17-25(16-18-8-3-2-4-9-18)15-14-22(23)21-13-7-11-19-10-5-6-12-20(19)21/h2-15,17,22H,16H2,1H3
InChIKeyULJBJTXEMRDMKP-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.01
Rot. Bonds4

About methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate

methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate (PubChem CID 71508599) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate
PubChem CID71508599
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Namemethyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(Cc2ccccc2)C=CC1c1cccc2ccccc12
InChIInChI=1S/C24H21NO2/c1-27-24(26)23-17-25(16-18-8-3-2-4-9-18)15-14-22(23)21-13-7-11-19-10-5-6-12-20(19)21/h2-15,17,22H,16H2,1H3
InChIKeyULJBJTXEMRDMKP-UHFFFAOYSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate
CID 101023603
dimethyl 1-benzyl-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295292
dimethyl 1-[(4-chlorophenyl)methyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 175446612
dimethyl 2-[(4R)-1-benzyl-3-methoxycarbonyl-4,5-dihydroazepin-4-yl]propanedioate
CID 15891310
dimethyl 1-[(4-chlorophenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 4591437
dimethyl 4-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 1287213
dimethyl 4-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4170111
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
dimethyl 4-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4692682
methyl 2-acetyl-5-amino-3-naphthalen-1-yl-3H-1,2-oxazole-4-carboxylate
CID 102235365
[5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone
CID 16739117
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate (CID 71508599) is methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate is COC(=O)C1=CN(Cc2ccccc2)C=CC1c1cccc2ccccc12.
What is the InChIKey of methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate?
The InChIKey is ULJBJTXEMRDMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-27-24(26)23-17-25(16-18-8-3-2-4-9-18)15-14-22(23)21-13-7-11-19-10-5-6-12-20(19)21/h2-15,17,22H,16H2,1H3.
What are the key properties of methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate?
methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 5.01, 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-naphthalen-1-yl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 71508599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).