methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate

C16H14N2O3 — CID 104859148

IUPACmethyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Cn1cccc(C#N)c1=O
InChIInChI=1S/C16H14N2O3/c1-21-15(19)9-12-5-2-3-6-14(12)11-18-8-4-7-13(10-17)16(18)20/h2-8H,9,11H2,1H3
InChIKeyGLGNNJLICZGAGX-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.48
Rot. Bonds4

About methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate

methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate (PubChem CID 104859148) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate
PubChem CID104859148
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Cn1cccc(C#N)c1=O
InChIInChI=1S/C16H14N2O3/c1-21-15(19)9-12-5-2-3-6-14(12)11-18-8-4-7-13(10-17)16(18)20/h2-8H,9,11H2,1H3
InChIKeyGLGNNJLICZGAGX-UHFFFAOYSA-N
XLogP1.48
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 82117381
2-[(3-bromo-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82147056
methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate
CID 126586374
methyl 2-(3-cyano-2-methoxyphenyl)acetate
CID 134658149
4-[(3-cyano-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 107017483
2-(3-cyano-2-oxo-1-pyridinyl)acetic acid
CID 21493819
1-[(3,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 113231573
2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile
CID 103520095
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 177191263
1-[(3-ethylimidazol-4-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 107017493
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate (CID 104859148) is methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate is COC(=O)Cc1ccccc1Cn1cccc(C#N)c1=O.
What is the InChIKey of methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate?
The InChIKey is GLGNNJLICZGAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-15(19)9-12-5-2-3-6-14(12)11-18-8-4-7-13(10-17)16(18)20/h2-8H,9,11H2,1H3.
What are the key properties of methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate?
methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate has a molecular weight of 282.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate is sourced from PubChem (CID 104859148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).