[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate

C17H17N3O6 — CID 55835457

IUPAC[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2ccc(C)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O6/c1-11-3-4-12(9-18-11)7-17(22)26-10-16(21)19-14-6-5-13(25-2)8-15(14)20(23)24/h3-6,8-9H,7,10H2,1-2H3,(H,19,21)
InChIKeyCGUQWGFYPLSRPZ-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.03
Rot. Bonds7

About [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate

[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate (PubChem CID 55835457) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Name[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate
PubChem CID55835457
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC Name[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2ccc(C)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O6/c1-11-3-4-12(9-18-11)7-17(22)26-10-16(21)19-14-6-5-13(25-2)8-15(14)20(23)24/h3-6,8-9H,7,10H2,1-2H3,(H,19,21)
InChIKeyCGUQWGFYPLSRPZ-UHFFFAOYSA-N
XLogP2.03
TPSA120.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-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

[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671882
[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011903
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4223376
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705057
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7729363
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648323
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705003
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7798270
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 18870453

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate?
The IUPAC name of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate (CID 55835457) is [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate.
What is the SMILES notation for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate?
The canonical SMILES for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate is COc1ccc(NC(=O)COC(=O)Cc2ccc(C)nc2)c([N+](=O)[O-])c1.
What is the InChIKey of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate?
The InChIKey is CGUQWGFYPLSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-11-3-4-12(9-18-11)7-17(22)26-10-16(21)19-14-6-5-13(25-2)8-15(14)20(23)24/h3-6,8-9H,7,10H2,1-2H3,(H,19,21).
What are the key properties of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate?
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate has a molecular weight of 359.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 55835457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).