2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide

C23H24N2O5 — CID 8016502

IUPAC2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide
SMILESCCc1cc(=O)oc2c3c(cc(OCC(=O)Nc4cccnc4)c12)OC(C)(C)CC3
InChIInChI=1S/C23H24N2O5/c1-4-14-10-20(27)29-22-16-7-8-23(2,3)30-17(16)11-18(21(14)22)28-13-19(26)25-15-6-5-9-24-12-15/h5-6,9-12H,4,7-8,13H2,1-3H3,(H,25,26)
InChIKeyHYTBGBFBMYXFFD-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.87
Rot. Bonds5

About 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide

2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide (PubChem CID 8016502) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide
PubChem CID8016502
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide
SMILESCCc1cc(=O)oc2c3c(cc(OCC(=O)Nc4cccnc4)c12)OC(C)(C)CC3
InChIInChI=1S/C23H24N2O5/c1-4-14-10-20(27)29-22-16-7-8-23(2,3)30-17(16)11-18(21(14)22)28-13-19(26)25-15-6-5-9-24-12-15/h5-6,9-12H,4,7-8,13H2,1-3H3,(H,25,26)
InChIKeyHYTBGBFBMYXFFD-UHFFFAOYSA-N
XLogP3.87
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide (CID 8016502) is 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide is CCc1cc(=O)oc2c3c(cc(OCC(=O)Nc4cccnc4)c12)OC(C)(C)CC3.
What is the InChIKey of 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide?
The InChIKey is HYTBGBFBMYXFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-4-14-10-20(27)29-22-16-7-8-23(2,3)30-17(16)11-18(21(14)22)28-13-19(26)25-15-6-5-9-24-12-15/h5-6,9-12H,4,7-8,13H2,1-3H3,(H,25,26).
What are the key properties of 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide?
2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide has a molecular weight of 408.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 8016502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).