ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate

C20H21N3O4 — CID 10861504

IUPACethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/N/C(=C/Nc1ccccc1)C(=O)OC)c1ccccn1
InChIInChI=1S/C20H21N3O4/c1-3-27-19(24)16(17-11-7-8-12-21-17)13-23-18(20(25)26-2)14-22-15-9-5-4-6-10-15/h4-14,22-23H,3H2,1-2H3/b16-13+,18-14+
InChIKeyQFZRWESSEPQORV-KSQUNMIPSA-N
MW367.41 g/mol
LogP2.70
Rot. Bonds8

About ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate

ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate (PubChem CID 10861504) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
PubChem CID10861504
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Nameethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/N/C(=C/Nc1ccccc1)C(=O)OC)c1ccccn1
InChIInChI=1S/C20H21N3O4/c1-3-27-19(24)16(17-11-7-8-12-21-17)13-23-18(20(25)26-2)14-22-15-9-5-4-6-10-15/h4-14,22-23H,3H2,1-2H3/b16-13+,18-14+
InChIKeyQFZRWESSEPQORV-KSQUNMIPSA-N
XLogP2.70
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
CID 101123648
[(Z)-2-[[(Z)-3-ethoxy-3-oxo-2-pyridin-2-ylprop-1-enyl]amino]-3-methoxy-3-oxoprop-1-enyl] 4-chlorobenzoate
CID 15525692
methyl (E)-2-[[(E)-2-cyano-2-pyridin-2-ylethenyl]amino]-3-(4-fluoroanilino)prop-2-enoate
CID 23244732
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-anilino-2-(5-ethoxy-1-phenylpyrazol-3-yl)prop-2-enoate
CID 101384678
ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate
CID 11079108
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
methyl 2-(anilinomethylidene)butanoate
CID 174882516
(1-anilino-3-ethoxy-3-oxoprop-1-en-2-yl)-triphenylphosphanium
CID 102222732
ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate
CID 11760364
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

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate (CID 10861504) is ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate is CCOC(=O)/C(=C/N/C(=C/Nc1ccccc1)C(=O)OC)c1ccccn1.
What is the InChIKey of ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate?
The InChIKey is QFZRWESSEPQORV-KSQUNMIPSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-27-19(24)16(17-11-7-8-12-21-17)13-23-18(20(25)26-2)14-22-15-9-5-4-6-10-15/h4-14,22-23H,3H2,1-2H3/b16-13+,18-14+.
What are the key properties of ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate?
ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate has a molecular weight of 367.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 10861504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).