methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate

C22H23NO2 — CID 53231737

IUPACmethyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate
SMILESCCC1C=C(c2ccccc2)C(C(=O)OC)=CN1Cc1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-19-14-20(18-12-8-5-9-13-18)21(22(24)25-2)16-23(19)15-17-10-6-4-7-11-17/h4-14,16,19H,3,15H2,1-2H3
InChIKeyIDVJOUGHLVEPAM-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.42
Rot. Bonds5

About methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate

methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate (PubChem CID 53231737) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate
PubChem CID53231737
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Namemethyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate
SMILESCCC1C=C(c2ccccc2)C(C(=O)OC)=CN1Cc1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-19-14-20(18-12-8-5-9-13-18)21(22(24)25-2)16-23(19)15-17-10-6-4-7-11-17/h4-14,16,19H,3,15H2,1-2H3
InChIKeyIDVJOUGHLVEPAM-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate (CID 53231737) is methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate is CCC1C=C(c2ccccc2)C(C(=O)OC)=CN1Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate?
The InChIKey is IDVJOUGHLVEPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-19-14-20(18-12-8-5-9-13-18)21(22(24)25-2)16-23(19)15-17-10-6-4-7-11-17/h4-14,16,19H,3,15H2,1-2H3.
What are the key properties of methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate?
methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-ethyl-4-phenyl-2H-pyridine-5-carboxylate is sourced from PubChem (CID 53231737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).