methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate

C20H18N2O2 — CID 10087244

IUPACmethyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate
SMILESCOC(=O)[C@H]1CN(c2ccccc2)C(C#N)=C[C@@H]1c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-24-20(23)19-14-22(16-10-6-3-7-11-16)17(13-21)12-18(19)15-8-4-2-5-9-15/h2-12,18-19H,14H2,1H3/t18-,19+/m1/s1
InChIKeyCHYFYTGRKRXJML-MOPGFXCFSA-N
MW318.38 g/mol
LogP3.49
Rot. Bonds3

About methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate

methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate (PubChem CID 10087244) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate
PubChem CID10087244
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namemethyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate
SMILESCOC(=O)[C@H]1CN(c2ccccc2)C(C#N)=C[C@@H]1c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-24-20(23)19-14-22(16-10-6-3-7-11-16)17(13-21)12-18(19)15-8-4-2-5-9-15/h2-12,18-19H,14H2,1H3/t18-,19+/m1/s1
InChIKeyCHYFYTGRKRXJML-MOPGFXCFSA-N
XLogP3.49
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate
CID 10753560
methyl (2R,3S)-1-methyl-2-phenylpiperidine-3-carboxylate
CID 150173428
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
ethane;methyl 1-methyl-2-phenylpiperidine-3-carboxylate
CID 91342907
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
(2R,4R,5S)-4-methoxycarbonyl-5-phenylpyrrolidine-2-carboxylic acid
CID 54511745
methyl 1-benzyl-4-(3-cyanophenyl)pyrrolidine-3-carboxylate
CID 18789537
methyl (3R,4R)-4-(4-methylbenzoyl)-1-phenylpyrrolidine-3-carboxylate
CID 1484818
methyl 1-oxido-4-phenylpiperidine-3-carboxylate
CID 87687004
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate
CID 102334992
methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate
CID 11834966

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate?
The IUPAC name of methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate (CID 10087244) is methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate.
What is the SMILES notation for methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate?
The canonical SMILES for methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate is COC(=O)[C@H]1CN(c2ccccc2)C(C#N)=C[C@@H]1c1ccccc1.
What is the InChIKey of methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate?
The InChIKey is CHYFYTGRKRXJML-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-20(23)19-14-22(16-10-6-3-7-11-16)17(13-21)12-18(19)15-8-4-2-5-9-15/h2-12,18-19H,14H2,1H3/t18-,19+/m1/s1.
What are the key properties of methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate?
methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate is sourced from PubChem (CID 10087244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).