2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide

C21H20N2O4 — CID 4903904

IUPAC2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1c(OCC(=O)NCc2ccncc2)ccc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C21H20N2O4/c1-13-18(26-12-19(24)23-11-14-7-9-22-10-8-14)6-5-16-15-3-2-4-17(15)21(25)27-20(13)16/h5-10H,2-4,11-12H2,1H3,(H,23,24)
InChIKeyVFNJZBIJCSMLLP-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.68
Rot. Bonds5

About 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide

2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 4903904) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID4903904
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1c(OCC(=O)NCc2ccncc2)ccc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C21H20N2O4/c1-13-18(26-12-19(24)23-11-14-7-9-22-10-8-14)6-5-16-15-3-2-4-17(15)21(25)27-20(13)16/h5-10H,2-4,11-12H2,1H3,(H,23,24)
InChIKeyVFNJZBIJCSMLLP-UHFFFAOYSA-N
XLogP2.68
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide (CID 4903904) is 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide is Cc1c(OCC(=O)NCc2ccncc2)ccc2c3c(c(=O)oc12)CCC3.
What is the InChIKey of 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is VFNJZBIJCSMLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-18(26-12-19(24)23-11-14-7-9-22-10-8-14)6-5-16-15-3-2-4-17(15)21(25)27-20(13)16/h5-10H,2-4,11-12H2,1H3,(H,23,24).
What are the key properties of 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide?
2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 364.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 4903904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).