N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

C20H20ClN3O2 — CID 53140338

About N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (PubChem CID 53140338) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
• PubChem CID: 53140338
• Molecular Formula: C20H20ClN3O2
• Molecular Weight: 369.85 g/mol
• Exact Mass: 369.12
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
• SMILES: COc1ccc(Cl)cc1NC(=O)N1CCc2cn(C)c3cccc(c23)C1
• InChI: InChI=1S/C20H20ClN3O2/c1-23-11-14-8-9-24(12-13-4-3-5-17(23)19(13)14)20(25)22-16-10-15(21)6-7-18(16)26-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,25)
• InChIKey: TYFBZQBAUARSNR-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.85
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (CID 53140338) is N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCc2cn(C)c3cccc(c23)C1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

The InChIKey is TYFBZQBAUARSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-23-11-14-8-9-24(12-13-4-3-5-17(23)19(13)14)20(25)22-16-10-15(21)6-7-18(16)26-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,25).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is sourced from PubChem (CID 53140338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).