ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate

C23H24ClNO2 — CID 53231613

IUPACethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2cccc(Cl)c2)C(CC)C=C1c1ccccc1
InChIInChI=1S/C23H24ClNO2/c1-4-19-15-21(17-10-7-6-8-11-17)22(23(26)27-5-2)16(3)25(19)20-13-9-12-18(24)14-20/h6-15,19H,4-5H2,1-3H3
InChIKeyZVLSRHCVDOWGTB-UHFFFAOYSA-N
MW381.90 g/mol
LogP5.86
Rot. Bonds5

About ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate

ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate (PubChem CID 53231613) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate
PubChem CID53231613
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC Nameethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2cccc(Cl)c2)C(CC)C=C1c1ccccc1
InChIInChI=1S/C23H24ClNO2/c1-4-19-15-21(17-10-7-6-8-11-17)22(23(26)27-5-2)16(3)25(19)20-13-9-12-18(24)14-20/h6-15,19H,4-5H2,1-3H3
InChIKeyZVLSRHCVDOWGTB-UHFFFAOYSA-N
XLogP5.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate (CID 53231613) is ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)N(c2cccc(Cl)c2)C(CC)C=C1c1ccccc1.
What is the InChIKey of ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate?
The InChIKey is ZVLSRHCVDOWGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c1-4-19-15-21(17-10-7-6-8-11-17)22(23(26)27-5-2)16(3)25(19)20-13-9-12-18(24)14-20/h6-15,19H,4-5H2,1-3H3.
What are the key properties of ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate?
ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate has a molecular weight of 381.90 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chlorophenyl)-2-ethyl-6-methyl-4-phenyl-2H-pyridine-5-carboxylate is sourced from PubChem (CID 53231613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).