ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate

C19H21N3O3 — CID 171645244

IUPACethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate
SMILESC=Cc1nc(C(=O)OCC)c(N)c(-c2cccc(OC)c2C)c1N=C
InChIInChI=1S/C19H21N3O3/c1-6-13-17(21-4)15(12-9-8-10-14(24-5)11(12)3)16(20)18(22-13)19(23)25-7-2/h6,8-10H,1,4,7,20H2,2-3,5H3
InChIKeyISJMZMLEVNJRNL-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.80
Rot. Bonds6

About ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate

ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate (PubChem CID 171645244) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate
PubChem CID171645244
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nameethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate
SMILESC=Cc1nc(C(=O)OCC)c(N)c(-c2cccc(OC)c2C)c1N=C
InChIInChI=1S/C19H21N3O3/c1-6-13-17(21-4)15(12-9-8-10-14(24-5)11(12)3)16(20)18(22-13)19(23)25-7-2/h6,8-10H,1,4,7,20H2,2-3,5H3
InChIKeyISJMZMLEVNJRNL-UHFFFAOYSA-N
XLogP3.80
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324
ethyl 5-(2-ethoxy-3-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169399469
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate
CID 134131568
ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271349
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide
CID 171820049
ethyl 6-methoxy-2H-indazole-7-carboxylate
CID 166638452
ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate
CID 10565518
ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134627131
ethyl 4-methoxy-3-methyl-1-benzothiophene-2-carboxylate
CID 155577564

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate (CID 171645244) is ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate is C=Cc1nc(C(=O)OCC)c(N)c(-c2cccc(OC)c2C)c1N=C.
What is the InChIKey of ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate?
The InChIKey is ISJMZMLEVNJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-6-13-17(21-4)15(12-9-8-10-14(24-5)11(12)3)16(20)18(22-13)19(23)25-7-2/h6,8-10H,1,4,7,20H2,2-3,5H3.
What are the key properties of ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate?
ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate is sourced from PubChem (CID 171645244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).