methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate

C16H17NO2 — CID 177349061

IUPACmethyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(CCc2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-19-16(18)10-15-9-14(11-17-12-15)8-7-13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10H2,1H3
InChIKeySWJISPMRLSBYEG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.58
Rot. Bonds5

About methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate

methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate (PubChem CID 177349061) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
PubChem CID177349061
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(CCc2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-19-16(18)10-15-9-14(11-17-12-15)8-7-13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10H2,1H3
InChIKeySWJISPMRLSBYEG-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate 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

CID 172801156
CID 172801156
methyl 2-phenylacetate;pyridine
CID 22282999
methyl 2-(5-chloro-3-pyridinyl)acetate
CID 91594815
carbon dioxide;methyl 2-phenylacetate
CID 159198536
methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate
CID 143365947
methyl 2-(5-propan-2-yl-3-pyridinyl)acetate
CID 20824070
bis(benzenecarbothioic S-acid);methyl 2-phenylacetate
CID 87890916
methyl 2-(3-propylphenyl)acetate
CID 89333992
methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 175301664
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate (CID 177349061) is methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate is COC(=O)Cc1cncc(CCc2ccccc2)c1.
What is the InChIKey of methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate?
The InChIKey is SWJISPMRLSBYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16(18)10-15-9-14(11-17-12-15)8-7-13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10H2,1H3.
What are the key properties of methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate?
methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate has a molecular weight of 255.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 177349061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).