2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C13H16N4O3 — CID 114531068

IUPAC2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCn1ccnc1CCOC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C13H16N4O3/c1-16-6-5-15-11(16)4-7-20-13(19)9-17-8-10(14)2-3-12(17)18/h2-3,5-6,8H,4,7,9,14H2,1H3
InChIKeyABSNIWZACIMMKC-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.05
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 114531068) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID114531068
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCn1ccnc1CCOC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C13H16N4O3/c1-16-6-5-15-11(16)4-7-20-13(19)9-17-8-10(14)2-3-12(17)18/h2-3,5-6,8H,4,7,9,14H2,1H3
InChIKeyABSNIWZACIMMKC-UHFFFAOYSA-N
XLogP-0.05
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-methylimidazol-2-yl)ethyl 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

2-(5-amino-2-oxo-1-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63296028
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
2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate
CID 114531043
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
2-(1-methylimidazol-2-yl)ethyl 3-amino-5-methylbenzoate
CID 114531090
2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114531057
[2-(3-methoxypropylamino)-2-oxoethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814820
(1-amino-1-oxopropan-2-yl) 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814992
2-(1-methylimidazol-2-yl)ethyl 2-amino-3-chlorobenzoate
CID 114531084
(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62815511
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 114531068) is 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is Cn1ccnc1CCOC(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is ABSNIWZACIMMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16-6-5-15-11(16)4-7-20-13(19)9-17-8-10(14)2-3-12(17)18/h2-3,5-6,8H,4,7,9,14H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 276.30 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 114531068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).