ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate

C14H19NO5 — CID 86684677

IUPACethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate
SMILESCCOC(=O)C=C(OCC)c1ccc(OC)nc1OC
InChIInChI=1S/C14H19NO5/c1-5-19-11(9-13(16)20-6-2)10-7-8-12(17-3)15-14(10)18-4/h7-9H,5-6H2,1-4H3
InChIKeyWOOSAQXWZHQYOX-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.04
Rot. Bonds7

About ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate

ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate (PubChem CID 86684677) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate
PubChem CID86684677
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nameethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate
SMILESCCOC(=O)C=C(OCC)c1ccc(OC)nc1OC
InChIInChI=1S/C14H19NO5/c1-5-19-11(9-13(16)20-6-2)10-7-8-12(17-3)15-14(10)18-4/h7-9H,5-6H2,1-4H3
InChIKeyWOOSAQXWZHQYOX-UHFFFAOYSA-N
XLogP2.04
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate
CID 86684678
ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate
CID 169480678
ethyl 3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3867735
ethyl (Z)-3-(4-methoxyphenoxy)but-2-enoate
CID 66894793
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
ethyl 4-(4-methoxyphenyl)-3-methylbut-2-enoate
CID 54482573
propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate
CID 3845774
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyanilino)but-2-enoate
CID 5394780
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl (E)-3-amino-3-(4-methoxyanilino)prop-2-enoate
CID 737874

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate?
The IUPAC name of ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate (CID 86684677) is ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate.
What is the SMILES notation for ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate?
The canonical SMILES for ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate is CCOC(=O)C=C(OCC)c1ccc(OC)nc1OC.
What is the InChIKey of ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate?
The InChIKey is WOOSAQXWZHQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-5-19-11(9-13(16)20-6-2)10-7-8-12(17-3)15-14(10)18-4/h7-9H,5-6H2,1-4H3.
What are the key properties of ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate?
ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate has a molecular weight of 281.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate is sourced from PubChem (CID 86684677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).