2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide

C25H18N2O6 — CID 102564674

IUPAC2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)c1
InChIInChI=1S/C25H18N2O6/c26-21(28)13-31-16-5-1-4-15(10-16)18-11-22(29)32-19-7-6-17-24(30)20(33-25(17)23(18)19)9-14-3-2-8-27-12-14/h1-10,12,18H,11,13H2,(H2,26,28)/b20-9-
InChIKeyMYIBGVJECPISJV-UKWGHVSLSA-N
MW442.43 g/mol
LogP3.00
Rot. Bonds5

About 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide

2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide (PubChem CID 102564674) has the molecular formula C25H18N2O6 and a molecular weight of 442.43 g/mol. Its IUPAC name is 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide
PubChem CID102564674
Molecular FormulaC25H18N2O6
Molecular Weight442.43 g/mol
Exact Mass442.12
IUPAC Name2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)c1
InChIInChI=1S/C25H18N2O6/c26-21(28)13-31-16-5-1-4-15(10-16)18-11-22(29)32-19-7-6-17-24(30)20(33-25(17)23(18)19)9-14-3-2-8-27-12-14/h1-10,12,18H,11,13H2,(H2,26,28)/b20-9-
InChIKeyMYIBGVJECPISJV-UKWGHVSLSA-N
XLogP3.00
TPSA117.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[3,7-dioxo-9-[3-(pyridin-3-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromen-2-ylidene]methyl]benzoate
CID 163091452
2-[3-[(2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide
CID 125122743
9-[3-(pyridin-3-ylmethoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163068405
(2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99999441
(2Z,9S)-2-[(4-propan-2-ylphenyl)methylidene]-9-(3-pyrimidin-2-yloxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125427950
9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162941474
(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124878656
9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162981361
(2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564953
methyl 4-[(Z)-[(9S)-9-(3-hydroxyphenyl)-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-2-ylidene]methyl]benzoate
CID 125121922
(2Z,9S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879602
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163090720

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide (CID 102564674) is 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide is NC(=O)COc1cccc(C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)c1.
What is the InChIKey of 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide?
The InChIKey is MYIBGVJECPISJV-UKWGHVSLSA-N. The full InChI is InChI=1S/C25H18N2O6/c26-21(28)13-31-16-5-1-4-15(10-16)18-11-22(29)32-19-7-6-17-24(30)20(33-25(17)23(18)19)9-14-3-2-8-27-12-14/h1-10,12,18H,11,13H2,(H2,26,28)/b20-9-.
What are the key properties of 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide?
2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide has a molecular weight of 442.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide is sourced from PubChem (CID 102564674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).