ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate

C19H16N2O6 — CID 11079108

IUPACethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/Nc1cc2c(=O)oc(C)cc2oc1=O)c1ccccn1
InChIInChI=1S/C19H16N2O6/c1-3-25-17(22)13(14-6-4-5-7-20-14)10-21-15-9-12-16(27-19(15)24)8-11(2)26-18(12)23/h4-10,21H,3H2,1-2H3/b13-10+
InChIKeyGXQHCFOKHDWVMQ-JLHYYAGUSA-N
MW368.35 g/mol
LogP2.47
Rot. Bonds5

About ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate

ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate (PubChem CID 11079108) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate
PubChem CID11079108
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Nameethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/Nc1cc2c(=O)oc(C)cc2oc1=O)c1ccccn1
InChIInChI=1S/C19H16N2O6/c1-3-25-17(22)13(14-6-4-5-7-20-14)10-21-15-9-12-16(27-19(15)24)8-11(2)26-18(12)23/h4-10,21H,3H2,1-2H3/b13-10+
InChIKeyGXQHCFOKHDWVMQ-JLHYYAGUSA-N
XLogP2.47
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(2,5-dioxopyrano[3,2-c]chromen-3-yl)amino]-2-pyridin-2-ylprop-2-enoate
CID 23245161
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 (E)-3-[[(E)-1-anilino-3-methoxy-3-oxoprop-1-en-2-yl]amino]-2-pyridin-2-ylprop-2-enoate
CID 10861504
ethyl (E)-3-(2-hydroxy-5-methoxyanilino)-2-(5-methoxy-1,3-benzoxazol-2-yl)prop-2-enoate
CID 146166365
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 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 (E)-3-anilino-2-(5-ethoxy-1-phenylpyrazol-3-yl)prop-2-enoate
CID 101384678
ethyl 2-[4-[4-hydroxy-3-(pyridine-2-carbonylamino)phenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 59041638
ethyl (E)-2-cyano-3-[(5-oxochromeno[2,3-b]pyridin-7-yl)amino]prop-2-enoate
CID 2799072
ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate (CID 11079108) is ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate is CCOC(=O)/C(=C/Nc1cc2c(=O)oc(C)cc2oc1=O)c1ccccn1.
What is the InChIKey of ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate?
The InChIKey is GXQHCFOKHDWVMQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-3-25-17(22)13(14-6-4-5-7-20-14)10-21-15-9-12-16(27-19(15)24)8-11(2)26-18(12)23/h4-10,21H,3H2,1-2H3/b13-10+.
What are the key properties of ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate?
ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate has a molecular weight of 368.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(7-methyl-2,5-dioxopyrano[3,2-c]pyran-3-yl)amino]-2-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 11079108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).