2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine

C74H136N30O+6 — CID 157085374

About 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine

2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine (PubChem CID 157085374) has the molecular formula C74H136N30O+6 and a molecular weight of 1462.11 g/mol. Its IUPAC name is 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine.

Molecular Properties

• Compound Name: 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine
• PubChem CID: 157085374
• Molecular Formula: C74H136N30O+6
• Molecular Weight: 1462.11 g/mol
• Exact Mass: 1461.15
• IUPAC Name: 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine
• SMILES: CN(CC[N+](C)(C)C)c1ncc(N)cc1N.C[N+](C)(C)C1CCN(c2ncc(N)cc2N)C1.C[N+](C)(C)CCNc1ncc(N)cc1N.C[N+]1(CCCCc2ncc(N)cc2N)CCCCC1.C[N+]1(CCNc2ncc(N)cc2N)CCCCC1.Nc1cnc(NCCC[n+]2ccn(CCO)c2)c(N)c1
• InChI: InChI=1S/C15H27N4.C13H21N6O.C13H24N5.C12H22N5.C11H22N5.C10H20N5/c1-19(8-4-2-5-9-19)10-6-3-7-15-14(17)11-13(16)12-18-15;14-11-8-12(15)13(17-9-11)16-2-1-3-18-4-5-19(10-18)6-7-20;1-18(6-3-2-4-7-18)8-5-16-13-12(15)9-11(14)10-17-13;1-17(2,3)10-4-5-16(8-10)12-11(14)6-9(13)7-15-12;1-15(5-6-16(2,3)4)11-10(13)7-9(12)8-14-11;1-15(2,3)5-4-13-10-9(12)6-8(11)7-14-10/h11-12H,2-10,16-17H2,1H3;4-5,8-10,20H,1-3,6-7,14-15H2,(H,16,17);9-10H,2-8,14-15H2,1H3,(H,16,17);6-7,10H,4-5,8,13-14H2,1-3H3;7-8H,5-6,12-13H2,1-4H3;6-7H,4-5,11-12H2,1-3H3,(H,13,14)/q6*+1
• InChIKey: AEAIEEDMZTURMQ-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 461.19 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1462.11
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine?

The IUPAC name of 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine (CID 157085374) is 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine.

What is the SMILES notation for 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine?

The canonical SMILES for 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine is CN(CC[N+](C)(C)C)c1ncc(N)cc1N.C[N+](C)(C)C1CCN(c2ncc(N)cc2N)C1.C[N+](C)(C)CCNc1ncc(N)cc1N.C[N+]1(CCCCc2ncc(N)cc2N)CCCCC1.C[N+]1(CCNc2ncc(N)cc2N)CCCCC1.Nc1cnc(NCCC[n+]2ccn(CCO)c2)c(N)c1.

What is the InChIKey of 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine?

The InChIKey is AEAIEEDMZTURMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N4.C13H21N6O.C13H24N5.C12H22N5.C11H22N5.C10H20N5/c1-19(8-4-2-5-9-19)10-6-3-7-15-14(17)11-13(16)12-18-15;14-11-8-12(15)13(17-9-11)16-2-1-3-18-4-5-19(10-18)6-7-20;1-18(6-3-2-4-7-18)8-5-16-13-12(15)9-11(14)10-17-13;1-17(2,3)10-4-5-16(8-10)12-11(14)6-9(13)7-15-12;1-15(5-6-16(2,3)4)11-10(13)7-9(12)8-14-11;1-15(2,3)5-4-13-10-9(12)6-8(11)7-14-10/h11-12H,2-10,16-17H2,1H3;4-5,8-10,20H,1-3,6-7,14-15H2,(H,16,17);9-10H,2-8,14-15H2,1H3,(H,16,17);6-7,10H,4-5,8,13-14H2,1-3H3;7-8H,5-6,12-13H2,1-4H3;6-7H,4-5,11-12H2,1-3H3,(H,13,14)/q6*+1.

What are the key properties of 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine?

2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine has a molecular weight of 1462.11 g/mol, XLogP of 4.60, 26 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine is sourced from PubChem (CID 157085374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).