ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate

C14H20N2O5 — CID 86684678

IUPACethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate
SMILESCCOC(=O)/C=C(\NCCO)c1ccc(OC)nc1OC
InChIInChI=1S/C14H20N2O5/c1-4-21-13(18)9-11(15-7-8-17)10-5-6-12(19-2)16-14(10)20-3/h5-6,9,15,17H,4,7-8H2,1-3H3/b11-9-
InChIKeyOGWJPYDQJSAUAR-LUAWRHEFSA-N
MW296.32 g/mol
LogP0.58
Rot. Bonds8

About ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate

ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate (PubChem CID 86684678) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate
PubChem CID86684678
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nameethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate
SMILESCCOC(=O)/C=C(\NCCO)c1ccc(OC)nc1OC
InChIInChI=1S/C14H20N2O5/c1-4-21-13(18)9-11(15-7-8-17)10-5-6-12(19-2)16-14(10)20-3/h5-6,9,15,17H,4,7-8H2,1-3H3/b11-9-
InChIKeyOGWJPYDQJSAUAR-LUAWRHEFSA-N
XLogP0.58
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate
CID 86684677
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 3-(2-hydroxyethylamino)but-2-enoate
CID 5235449
2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91914773
(E)-2,3-diamino-3-[2-amino-3-(2,6-dimethoxy-3-pyridinyl)-4-fluorophenyl]-N-ethylprop-2-enamide
CID 143493447
ethyl (Z)-3-(4-methoxyphenoxy)but-2-enoate
CID 66894793
methyl (1S,9S)-13-(2-ethoxy-2-oxoethylidene)-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene-1-carboxylate
CID 10043874
ethyl (Z)-3-(4-methoxyanilino)but-2-enoate
CID 5394780
ethyl (E)-3-amino-3-(4-methoxyanilino)prop-2-enoate
CID 737874
2-(2,6-dimethoxypyridine-3-carbonyl)-N-ethylpyrazolidine-1-carbothioamide
CID 3850000
2,6-dimethoxy-N-(naphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 20969022

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate (CID 86684678) is ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate is CCOC(=O)/C=C(\NCCO)c1ccc(OC)nc1OC.
What is the InChIKey of ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate?
The InChIKey is OGWJPYDQJSAUAR-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-21-13(18)9-11(15-7-8-17)10-5-6-12(19-2)16-14(10)20-3/h5-6,9,15,17H,4,7-8H2,1-3H3/b11-9-.
What are the key properties of ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate?
ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate has a molecular weight of 296.32 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(2,6-dimethoxy-3-pyridinyl)-3-(2-hydroxyethylamino)prop-2-enoate is sourced from PubChem (CID 86684678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).