N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate

C21H30N6O7PbS — CID 139140239

About N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate

N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate (PubChem CID 139140239) has the molecular formula C21H30N6O7PbS and a molecular weight of 717.77 g/mol. Its IUPAC name is N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate.

Molecular Properties

• Compound Name: N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate
• PubChem CID: 139140239
• Molecular Formula: C21H30N6O7PbS
• Molecular Weight: 717.77 g/mol
• Exact Mass: 718.17
• IUPAC Name: N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate
• SMILES: CCSCCN(Cc1ccccn1)Cc1cccc(NC(=O)C(C)(C)C)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2]
• InChI: InChI=1S/C21H30N4OS.2NO3.Pb/c1-5-27-14-13-25(15-17-9-6-7-12-22-17)16-18-10-8-11-19(23-18)24-20(26)21(2,3)4;2*2-1(3)4;/h6-12H,5,13-16H2,1-4H3,(H,23,24,26);;;/q;2*-1;+2
• InChIKey: VLTJCHWNWAVNCR-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 190.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.77
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate?

The IUPAC name of N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate (CID 139140239) is N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate.

What is the SMILES notation for N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate?

The canonical SMILES for N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate is CCSCCN(Cc1ccccn1)Cc1cccc(NC(=O)C(C)(C)C)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].

What is the InChIKey of N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate?

The InChIKey is VLTJCHWNWAVNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS.2NO3.Pb/c1-5-27-14-13-25(15-17-9-6-7-12-22-17)16-18-10-8-11-19(23-18)24-20(26)21(2,3)4;2*2-1(3)4;/h6-12H,5,13-16H2,1-4H3,(H,23,24,26);;;/q;2*-1;+2.

What are the key properties of N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate?

N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate has a molecular weight of 717.77 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2,2-dimethylpropanamide;lead(2+);dinitrate is sourced from PubChem (CID 139140239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).