ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate

C21H23NO3 — CID 134951963

IUPACethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccccc2)=C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C21H23NO3/c1-3-25-21(23)22-14-13-18(16-7-5-4-6-8-16)15-20(22)17-9-11-19(24-2)12-10-17/h4-12,15,20H,3,13-14H2,1-2H3/t20-/m0/s1
InChIKeyRNLMJAGYAWHIHK-FQEVSTJZSA-N
MW337.42 g/mol
LogP4.68
Rot. Bonds4

About ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate

ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134951963) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID134951963
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Nameethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccccc2)=C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C21H23NO3/c1-3-25-21(23)22-14-13-18(16-7-5-4-6-8-16)15-20(22)17-9-11-19(24-2)12-10-17/h4-12,15,20H,3,13-14H2,1-2H3/t20-/m0/s1
InChIKeyRNLMJAGYAWHIHK-FQEVSTJZSA-N
XLogP4.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 134951963) is ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CCC(c2ccccc2)=C[C@H]1c1ccc(OC)cc1.
What is the InChIKey of ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is RNLMJAGYAWHIHK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23NO3/c1-3-25-21(23)22-14-13-18(16-7-5-4-6-8-16)15-20(22)17-9-11-19(24-2)12-10-17/h4-12,15,20H,3,13-14H2,1-2H3/t20-/m0/s1.
What are the key properties of ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134951963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).