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

C15H16N2O2 — CID 10753560

IUPACmethyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C)C=C(C#N)N1c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-11-8-13(10-16)17(12-6-4-3-5-7-12)14(9-11)15(18)19-2/h3-8,11,14H,9H2,1-2H3/t11-,14+/m0/s1
InChIKeyLXQWNAYNTZWKMJ-SMDDNHRTSA-N
MW256.30 g/mol
LogP2.48
Rot. Bonds2

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

methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate (PubChem CID 10753560) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate
PubChem CID10753560
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Namemethyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C)C=C(C#N)N1c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-11-8-13(10-16)17(12-6-4-3-5-7-12)14(9-11)15(18)19-2/h3-8,11,14H,9H2,1-2H3/t11-,14+/m0/s1
InChIKeyLXQWNAYNTZWKMJ-SMDDNHRTSA-N
XLogP2.48
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate?
The IUPAC name of methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate (CID 10753560) is methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate is COC(=O)[C@H]1C[C@@H](C)C=C(C#N)N1c1ccccc1.
What is the InChIKey of methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate?
The InChIKey is LXQWNAYNTZWKMJ-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-8-13(10-16)17(12-6-4-3-5-7-12)14(9-11)15(18)19-2/h3-8,11,14H,9H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate?
methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-6-cyano-4-methyl-1-phenyl-3,4-dihydro-2H-pyridine-2-carboxylate is sourced from PubChem (CID 10753560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).