ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate

C22H23NO2 — CID 71508596

IUPACethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(Cc2ccc(C)cc2)C=CC1c1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-25-22(24)21-16-23(15-18-11-9-17(2)10-12-18)14-13-20(21)19-7-5-4-6-8-19/h4-14,16,20H,3,15H2,1-2H3
InChIKeyGYPBHBDWVKFSNA-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.56
Rot. Bonds5

About ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate

ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 71508596) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID71508596
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Nameethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(Cc2ccc(C)cc2)C=CC1c1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-25-22(24)21-16-23(15-18-11-9-17(2)10-12-18)14-13-20(21)19-7-5-4-6-8-19/h4-14,16,20H,3,15H2,1-2H3
InChIKeyGYPBHBDWVKFSNA-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate (CID 71508596) is ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate is CCOC(=O)C1=CN(Cc2ccc(C)cc2)C=CC1c1ccccc1.
What is the InChIKey of ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is GYPBHBDWVKFSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-25-22(24)21-16-23(15-18-11-9-17(2)10-12-18)14-13-20(21)19-7-5-4-6-8-19/h4-14,16,20H,3,15H2,1-2H3.
What are the key properties of ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate?
ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 71508596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).