methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C17H18FNO2 — CID 155741807

IUPACmethyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=C(C=C)[C@@H](c2ccc(F)cc2)N(C(=O)OC)CC1
InChIInChI=1S/C17H18FNO2/c1-4-12-10-11-19(17(20)21-3)16(15(12)5-2)13-6-8-14(18)9-7-13/h4-9,16H,1-2,10-11H2,3H3/t16-/m1/s1
InChIKeyXAYMURYOXRNBPP-MRXNPFEDSA-N
MW287.33 g/mol
LogP4.01
Rot. Bonds3

About methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 155741807) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID155741807
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Namemethyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=C(C=C)[C@@H](c2ccc(F)cc2)N(C(=O)OC)CC1
InChIInChI=1S/C17H18FNO2/c1-4-12-10-11-19(17(20)21-3)16(15(12)5-2)13-6-8-14(18)9-7-13/h4-9,16H,1-2,10-11H2,3H3/t16-/m1/s1
InChIKeyXAYMURYOXRNBPP-MRXNPFEDSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-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

(6-methyl-6-azabicyclo[3.1.1]heptan-2-yl) (6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170615913
(6S)-N-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]-4,5-bis(ethenyl)-6-(4-fluorophenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 155742136
(6S)-6-(3,4-difluorophenyl)-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 170615804
(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde;(2S)-2,5-dimethyloxane
CID 163402136
(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde;(6S)-6-methyloxan-3-one
CID 163401791
(6S)-6-(3,4-difluorophenyl)-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid;2,2-dimethyl-1-azabicyclo[2.2.2]octane
CID 170615803
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
ethyl 1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 21266263
methyl 3-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropanoate
CID 155390511
methyl (1S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 7450865
[(1S)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 155551693

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 155741807) is methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is C=CC1=C(C=C)[C@@H](c2ccc(F)cc2)N(C(=O)OC)CC1.
What is the InChIKey of methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is XAYMURYOXRNBPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-4-12-10-11-19(17(20)21-3)16(15(12)5-2)13-6-8-14(18)9-7-13/h4-9,16H,1-2,10-11H2,3H3/t16-/m1/s1.
What are the key properties of methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 287.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 155741807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).