N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C23H27N3O4 — CID 171909127

About N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 171909127) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
• PubChem CID: 171909127
• Molecular Formula: C23H27N3O4
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.20
• IUPAC Name: N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
• SMILES: COc1ccc2c(C)c(CC(=O)N(Cc3c(C)nn(C)c3C)C3CC3)c(=O)oc2c1
• InChI: InChI=1S/C23H27N3O4/c1-13-18-9-8-17(29-5)10-21(18)30-23(28)19(13)11-22(27)26(16-6-7-16)12-20-14(2)24-25(4)15(20)3/h8-10,16H,6-7,11-12H2,1-5H3
• InChIKey: VIDXYQOWWFPMQH-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 77.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

The IUPAC name of N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 171909127) is N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

What is the SMILES notation for N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

The canonical SMILES for N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is COc1ccc2c(C)c(CC(=O)N(Cc3c(C)nn(C)c3C)C3CC3)c(=O)oc2c1.

What is the InChIKey of N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

The InChIKey is VIDXYQOWWFPMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-13-18-9-8-17(29-5)10-21(18)30-23(28)19(13)11-22(27)26(16-6-7-16)12-20-14(2)24-25(4)15(20)3/h8-10,16H,6-7,11-12H2,1-5H3.

What are the key properties of N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 171909127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).