methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate

C10H12N2O3 — CID 169478969

IUPACmethyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(OC)c(N)c1
InChIInChI=1S/C10H12N2O3/c1-14-9(13)4-3-7-5-8(11)10(15-2)12-6-7/h3-6H,11H2,1-2H3
InChIKeyGEZQROGATXKANJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.86
Rot. Bonds3

About methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate

methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate (PubChem CID 169478969) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
PubChem CID169478969
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(OC)c(N)c1
InChIInChI=1S/C10H12N2O3/c1-14-9(13)4-3-7-5-8(11)10(15-2)12-6-7/h3-6H,11H2,1-2H3
InChIKeyGEZQROGATXKANJ-UHFFFAOYSA-N
XLogP0.86
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate 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

5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine
CID 169463540
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479054
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate
CID 138114377
3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid
CID 169460544
methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate
CID 45102648
methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate
CID 169478967
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
methyl (E)-3-(3-amino-5-chloro-4-hydroxyphenyl)prop-2-enoate
CID 70539489
methyl 3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 169479062
methyl (E)-3-pyrimidin-5-ylprop-2-enoate
CID 18470237

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate (CID 169478969) is methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate is COC(=O)C=Cc1cnc(OC)c(N)c1.
What is the InChIKey of methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate?
The InChIKey is GEZQROGATXKANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-14-9(13)4-3-7-5-8(11)10(15-2)12-6-7/h3-6H,11H2,1-2H3.
What are the key properties of methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate?
methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate has a molecular weight of 208.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 169478969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).