6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

C24H26N6O3+2 — CID 51422797

About 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (PubChem CID 51422797) has the molecular formula C24H26N6O3+2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.

Molecular Properties

• Compound Name: 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
• PubChem CID: 51422797
• Molecular Formula: C24H26N6O3+2
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
• SMILES: Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(N)[n+](C[C@H]4CCCO4)c3[nH+]c12
• InChI: InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)/p+2/t17-/m1/s1
• InChIKey: XPXWHWPEIBBBCJ-QGZVFWFLSA-P
• XLogP: 0.95
• TPSA: 116.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?

The IUPAC name of 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (CID 51422797) is 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.

What is the SMILES notation for 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?

The canonical SMILES for 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(N)[n+](C[C@H]4CCCO4)c3[nH+]c12.

What is the InChIKey of 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?

The InChIKey is XPXWHWPEIBBBCJ-QGZVFWFLSA-P. The full InChI is InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)/p+2/t17-/m1/s1.

What are the key properties of 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?

6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1-aza-7,9-diazoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is sourced from PubChem (CID 51422797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).