methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate

C15H16N2O2 — CID 131859938

IUPACmethyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(Cc2ccccc2)C(C#N)C1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)13-7-8-17(14(9-13)10-16)11-12-5-3-2-4-6-12/h2-7,14H,8-9,11H2,1H3
InChIKeyFWPJUAHLRNKRIM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.88
Rot. Bonds3

About methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate

methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 131859938) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID131859938
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(Cc2ccccc2)C(C#N)C1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)13-7-8-17(14(9-13)10-16)11-12-5-3-2-4-6-12/h2-7,14H,8-9,11H2,1H3
InChIKeyFWPJUAHLRNKRIM-UHFFFAOYSA-N
XLogP1.88
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-tert-butyl 6-O-methyl 4-benzyl-3-cyano-2,3-dihydropyrazine-1,6-dicarboxylate
CID 102300194
tert-butyl 4-benzyl-3-cyanopiperazine-1-carboxylate
CID 53413955
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
(2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride
CID 70096339
ethyl 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
CID 14470232
ethyl 2-benzyl-3-cyano-3,4-dihydropyrazole-5-carboxylate
CID 134871021
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl (2R,3S)-1-benzyl-2-hydroxy-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 56927649
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-benzyl-5-bromo-3,6-dihydro-2H-pyridine-2-carboxylate
CID 175451667
(2R)-1-benzyl-4-[2-(methoxymethyl)benzoyl]piperazine-2-carbonitrile
CID 95967681

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate (CID 131859938) is methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate is COC(=O)C1=CCN(Cc2ccccc2)C(C#N)C1.
What is the InChIKey of methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is FWPJUAHLRNKRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15(18)13-7-8-17(14(9-13)10-16)11-12-5-3-2-4-6-12/h2-7,14H,8-9,11H2,1H3.
What are the key properties of methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate?
methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 131859938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).