methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate

C11H14N2O4 — CID 167160763

IUPACmethyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate
SMILESCOC(=O)CC(=O)CNc1cccc(OC)n1
InChIInChI=1S/C11H14N2O4/c1-16-10-5-3-4-9(13-10)12-7-8(14)6-11(15)17-2/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyAIQJPRIVYZATAZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.63
Rot. Bonds6

About methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate

methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate (PubChem CID 167160763) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate
PubChem CID167160763
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate
SMILESCOC(=O)CC(=O)CNc1cccc(OC)n1
InChIInChI=1S/C11H14N2O4/c1-16-10-5-3-4-9(13-10)12-7-8(14)6-11(15)17-2/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyAIQJPRIVYZATAZ-UHFFFAOYSA-N
XLogP0.63
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate 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

3-[(6-methoxy-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106277902
3-[(6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 63590933
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83112211
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 63965022
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methoxy-2-pyridinyl)amino]acetate
CID 63588742
1-N-(6-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 63590945
6-methoxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762395

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate?
The IUPAC name of methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate (CID 167160763) is methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate.
What is the SMILES notation for methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate?
The canonical SMILES for methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate is COC(=O)CC(=O)CNc1cccc(OC)n1.
What is the InChIKey of methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate?
The InChIKey is AIQJPRIVYZATAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-10-5-3-4-9(13-10)12-7-8(14)6-11(15)17-2/h3-5H,6-7H2,1-2H3,(H,12,13).
What are the key properties of methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate?
methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate has a molecular weight of 238.24 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate is sourced from PubChem (CID 167160763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).