ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate

C19H20N4O4 — CID 11760364

IUPACethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/Nc1cc2c(oc1=O)CCC/C2=N\N)c1ccccn1
InChIInChI=1S/C19H20N4O4/c1-2-26-18(24)13(14-6-3-4-9-21-14)11-22-16-10-12-15(23-20)7-5-8-17(12)27-19(16)25/h3-4,6,9-11,22H,2,5,7-8,20H2,1H3/b13-11+,23-15+
InChIKeyKHVVUTCIJMPQCN-BZDIYGFGSA-N
MW368.39 g/mol
LogP2.05
Rot. Bonds5

About ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate

ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate (PubChem CID 11760364) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate
PubChem CID11760364
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Nameethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/Nc1cc2c(oc1=O)CCC/C2=N\N)c1ccccn1
InChIInChI=1S/C19H20N4O4/c1-2-26-18(24)13(14-6-3-4-9-21-14)11-22-16-10-12-15(23-20)7-5-8-17(12)27-19(16)25/h3-4,6,9-11,22H,2,5,7-8,20H2,1H3/b13-11+,23-15+
InChIKeyKHVVUTCIJMPQCN-BZDIYGFGSA-N
XLogP2.05
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

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-[(2,5-dioxopyrano[3,2-c]chromen-3-yl)amino]-2-pyridin-2-ylprop-2-enoate
CID 23245161
ethyl (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
CID 10861504
ethyl (Z)-3-[[(Z)-1-(4-fluoroanilino)-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
CID 101123648
ethyl (Z)-2-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135462329
ethyl 2-[[(4E)-3-methyl-4-(pyridine-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carbonyl]amino]benzoate
CID 19158720
ethyl pyridine-2-carboxylate
CID 17307
[(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 (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate
CID 172551439
ethyl (NZ)-N-pyridin-2-yliminocarbamate
CID 10773684
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
ethyl (E)-2-amino-3-pyridin-2-ylprop-2-enoate
CID 134275499

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate (CID 11760364) is ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate is CCOC(=O)/C(=C/Nc1cc2c(oc1=O)CCC/C2=N\N)c1ccccn1.
What is the InChIKey of ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate?
The InChIKey is KHVVUTCIJMPQCN-BZDIYGFGSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-2-26-18(24)13(14-6-3-4-9-21-14)11-22-16-10-12-15(23-20)7-5-8-17(12)27-19(16)25/h3-4,6,9-11,22H,2,5,7-8,20H2,1H3/b13-11+,23-15+.
What are the key properties of ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate?
ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate has a molecular weight of 368.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[[(5E)-5-hydrazinylidene-2-oxo-7,8-dihydro-6H-chromen-3-yl]amino]-2-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 11760364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).