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

C23H22N2O4 — CID 17429943

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

N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 17429943) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 17429943
• Molecular Formula: C23H22N2O4
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.16
• IUPAC Name: N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N(Cc1ccccn1)C1CC1
• InChI: InChI=1S/C23H22N2O4/c26-22(25(16-7-8-16)13-15-4-1-2-11-24-15)14-28-17-9-10-19-18-5-3-6-20(18)23(27)29-21(19)12-17/h1-2,4,9-12,16H,3,5-8,13-14H2
• InChIKey: CWGACACESAJLKP-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 72.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide (CID 17429943) is N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N(Cc1ccccn1)C1CC1.

What is the InChIKey of N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is CWGACACESAJLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-22(25(16-7-8-16)13-15-4-1-2-11-24-15)14-28-17-9-10-19-18-5-3-6-20(18)23(27)29-21(19)12-17/h1-2,4,9-12,16H,3,5-8,13-14H2.

What are the key properties of N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide?

N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 17429943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).