diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate

C14H18N2O5 — CID 619151

IUPACdiethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate
SMILESCCOC(=O)C(=CNc1ccc(OC)nc1)C(=O)OCC
InChIInChI=1S/C14H18N2O5/c1-4-20-13(17)11(14(18)21-5-2)9-15-10-6-7-12(19-3)16-8-10/h6-9,15H,4-5H2,1-3H3
InChIKeyFJDMNLFVZHBIHR-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.51
Rot. Bonds7

About diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate

diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate (PubChem CID 619151) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate
PubChem CID619151
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namediethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate
SMILESCCOC(=O)C(=CNc1ccc(OC)nc1)C(=O)OCC
InChIInChI=1S/C14H18N2O5/c1-4-20-13(17)11(14(18)21-5-2)9-15-10-6-7-12(19-3)16-8-10/h6-9,15H,4-5H2,1-3H3
InChIKeyFJDMNLFVZHBIHR-UHFFFAOYSA-N
XLogP1.51
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-3-pyridinylamine
CID 81121
5-Amino-2-butoxypyridine
CID 68314
N-(6-methoxypyridin-3-yl)acetamide
CID 2755701
1-(6-Methoxypyridin-3-yl)-1,4-diazepane
CID 10727034
6-Ethoxypyridin-3-amine
CID 3040301
6-Propoxypyridin-3-amine
CID 3040302
N-ethyl-6-methoxypyridin-3-amine
CID 20786149
1,3-Diethyl 2-{[(pyridin-3-yl)amino]methylidene}propanedioate
CID 2313092
5-Amino-2-butoxypyridine hydrochloride
CID 24194159
Diethyl 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedioate
CID 2800186
diethyl 2-{[5-methoxy-2-(1H-pyrrol-1-yl)anilino]methylidene}malonate
CID 2797013
Pyridine, 3-amino-6-(2-ethoxyethoxy)-
CID 3040303

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate?
The IUPAC name of diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate (CID 619151) is diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate.
What is the SMILES notation for diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate?
The canonical SMILES for diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate is CCOC(=O)C(=CNc1ccc(OC)nc1)C(=O)OCC.
What is the InChIKey of diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate?
The InChIKey is FJDMNLFVZHBIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-4-20-13(17)11(14(18)21-5-2)9-15-10-6-7-12(19-3)16-8-10/h6-9,15H,4-5H2,1-3H3.
What are the key properties of diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate?
diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate has a molecular weight of 294.31 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate is sourced from PubChem (CID 619151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).