(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C16H18N2O3 — CID 62815511

IUPAC(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCc1ccc(COC(=O)Cn2cc(N)ccc2=O)cc1C
InChIInChI=1S/C16H18N2O3/c1-11-3-4-13(7-12(11)2)10-21-16(20)9-18-8-14(17)5-6-15(18)19/h3-8H,9-10,17H2,1-2H3
InChIKeyAKUIQBRQYMYSSC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.79
Rot. Bonds4

About (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62815511) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62815511
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCc1ccc(COC(=O)Cn2cc(N)ccc2=O)cc1C
InChIInChI=1S/C16H18N2O3/c1-11-3-4-13(7-12(11)2)10-21-16(20)9-18-8-14(17)5-6-15(18)19/h3-8H,9-10,17H2,1-2H3
InChIKeyAKUIQBRQYMYSSC-UHFFFAOYSA-N
XLogP1.79
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-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

methoxymethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 65364298
(3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 115982405
pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814988
(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814289
butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62816019
(1-amino-1-oxopropan-2-yl) 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814992
[2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814820
1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62816378
methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
CID 55210676
2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 114531068
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62815849
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,6-difluoro-3-methylphenyl)acetamide
CID 82800041

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62815511) is (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is Cc1ccc(COC(=O)Cn2cc(N)ccc2=O)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is AKUIQBRQYMYSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-3-4-13(7-12(11)2)10-21-16(20)9-18-8-14(17)5-6-15(18)19/h3-8H,9-10,17H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 286.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62815511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).