ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate

C20H20FN3O4 — CID 101123648

IUPACethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C\N/C(=C\Nc1ccc(F)cc1)C(=O)OC)c1ccccn1
InChIInChI=1S/C20H20FN3O4/c1-3-28-19(25)16(17-6-4-5-11-22-17)12-24-18(20(26)27-2)13-23-15-9-7-14(21)8-10-15/h4-13,23-24H,3H2,1-2H3/b16-12-,18-13-
InChIKeyHLINDFXCDKKAFJ-QKMFDWEGSA-N
MW385.40 g/mol
LogP2.84
Rot. Bonds8

About ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate

ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate (PubChem CID 101123648) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
PubChem CID101123648
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Nameethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C\N/C(=C\Nc1ccc(F)cc1)C(=O)OC)c1ccccn1
InChIInChI=1S/C20H20FN3O4/c1-3-28-19(25)16(17-6-4-5-11-22-17)12-24-18(20(26)27-2)13-23-15-9-7-14(21)8-10-15/h4-13,23-24H,3H2,1-2H3/b16-12-,18-13-
InChIKeyHLINDFXCDKKAFJ-QKMFDWEGSA-N
XLogP2.84
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
CID 10861504
methyl (E)-2-[[(E)-2-cyano-2-pyridin-2-ylethenyl]amino]-3-(4-fluoroanilino)prop-2-enoate
CID 23244732
[(Z)-2-[[(Z)-3-ethoxy-3-oxo-2-pyridin-2-ylprop-1-enyl]amino]-3-methoxy-3-oxoprop-1-enyl] 4-chlorobenzoate
CID 15525692
ethyl (E)-4-[[(Z)-3-methoxy-1-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylbut-3-enoate
CID 101123388
ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate
CID 11079108
ethyl 3-[(2-chloro-4-pyridinyl)amino]-2-(4-fluorophenyl)prop-2-enoate
CID 174683975
diethyl 2-[[4-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]anilino]methylidene]propanedioate
CID 2839461
ethyl pyridine-2-carboxylate
CID 17307
ethyl 3-[(2,5-dioxopyrano[3,2-c]chromen-3-yl)amino]-2-pyridin-2-ylprop-2-enoate
CID 23245161
ethyl (Z)-2-[[(E)-2-cyano-2-pyridin-2-ylethenyl]amino]-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enoate
CID 135753584
ethyl (E)-3-anilino-2-(5-ethoxy-1-phenylpyrazol-3-yl)prop-2-enoate
CID 101384678
ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate
CID 102346634

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate (CID 101123648) is ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate is CCOC(=O)/C(=C\N/C(=C\Nc1ccc(F)cc1)C(=O)OC)c1ccccn1.
What is the InChIKey of ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate?
The InChIKey is HLINDFXCDKKAFJ-QKMFDWEGSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-3-28-19(25)16(17-6-4-5-11-22-17)12-24-18(20(26)27-2)13-23-15-9-7-14(21)8-10-15/h4-13,23-24H,3H2,1-2H3/b16-12-,18-13-.
What are the key properties of ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate?
ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate has a molecular weight of 385.40 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 101123648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).