methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate

C14H16N2O6 — CID 99722675

IUPACmethyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate
SMILESCOC(=O)N/C(=C/c1cc(C(=O)OC)cc(C)n1)C(=O)OC
InChIInChI=1S/C14H16N2O6/c1-8-5-9(12(17)20-2)6-10(15-8)7-11(13(18)21-3)16-14(19)22-4/h5-7H,1-4H3,(H,16,19)/b11-7+
InChIKeyUBBBRJLIXWYHKW-YRNVUSSQSA-N
MW308.29 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate

methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate (PubChem CID 99722675) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate
PubChem CID99722675
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Namemethyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate
SMILESCOC(=O)N/C(=C/c1cc(C(=O)OC)cc(C)n1)C(=O)OC
InChIInChI=1S/C14H16N2O6/c1-8-5-9(12(17)20-2)6-10(15-8)7-11(13(18)21-3)16-14(19)22-4/h5-7H,1-4H3,(H,16,19)/b11-7+
InChIKeyUBBBRJLIXWYHKW-YRNVUSSQSA-N
XLogP1.05
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate 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

methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
methyl 2-(methoxymethyl)-6-methylpyridine-4-carboxylate
CID 118905736
methyl 2-(hydroxymethyl)-6-methylpyridine-4-carboxylate;hydrate
CID 141487204
methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86081346
methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate
CID 55267491
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-3-yl)prop-2-enoate
CID 66938162
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
3-(2-bromo-6-methyl-4-pyridinyl)-3-oxopropanenitrile;methyl 2-bromo-6-methylpyridine-4-carboxylate
CID 159668255
methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
CID 67469548
methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate
CID 173129747

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate (CID 99722675) is methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate is COC(=O)N/C(=C/c1cc(C(=O)OC)cc(C)n1)C(=O)OC.
What is the InChIKey of methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate?
The InChIKey is UBBBRJLIXWYHKW-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H16N2O6/c1-8-5-9(12(17)20-2)6-10(15-8)7-11(13(18)21-3)16-14(19)22-4/h5-7H,1-4H3,(H,16,19)/b11-7+.
What are the key properties of methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate?
methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate has a molecular weight of 308.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-3-methoxy-2-(methoxycarbonylamino)-3-oxoprop-1-enyl]-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 99722675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).