1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine

C137H195BrN34O25 — CID 159165736

About 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine

1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine (PubChem CID 159165736) has the molecular formula C137H195BrN34O25 and a molecular weight of 2798.18 g/mol. Its IUPAC name is 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine.

Molecular Properties

• Compound Name: 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine
• PubChem CID: 159165736
• Molecular Formula: C137H195BrN34O25
• Molecular Weight: 2798.18 g/mol
• Exact Mass: 2795.42
• IUPAC Name: 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine
• SMILES: C.CC(=O)c1cccc(CN(C)CN(C)Cc2cccc(C(C)=O)n2)n1.CC(=O)c1cccc(CN(C)CN(C)Cc2cccc(C(C)=O)n2)n1.CC(=O)c1cccc(CNCNCc2cccc(C(C)=O)n2)n1.CC(C)(C)OC(=O)c1cccc(CBr)n1.CC(Cc1cccc(C(=O)O)n1)CC(C)Cc1cccc(C(=O)O)n1.COC(=O)c1cccc(C(=O)OC)n1.COC(=O)c1cccc(C=O)n1.Cc1cccc(C(=O)OC(C)(C)C)n1.NCN.NCN.NCN.NCN.NCN.O=C(O)c1cccc(CNCNCc2cccc(C(=O)O)n2)n1.[1H]NCCNC
• InChI: InChI=1S/2C19H24N4O2.C19H22N2O4.C17H20N4O2.C15H16N4O4.C11H14BrNO2.C11H15NO2.C9H9NO4.C8H7NO3.C3H10N2.5CH6N2.CH4/c2*1-14(24)18-9-5-7-16(20-18)11-22(3)13-23(4)12-17-8-6-10-19(21-17)15(2)25;1-12(10-14-5-3-7-16(20-14)18(22)23)9-13(2)11-15-6-4-8-17(21-15)19(24)25;1-12(22)16-7-3-5-14(20-16)9-18-11-19-10-15-6-4-8-17(21-15)13(2)23;20-14(21)12-5-1-3-10(18-12)7-16-9-17-8-11-4-2-6-13(19-11)15(22)23;1-11(2,3)15-10(14)9-6-4-5-8(7-12)13-9;1-8-6-5-7-9(12-8)10(13)14-11(2,3)4;1-13-8(11)6-4-3-5-7(10-6)9(12)14-2;1-12-8(11)7-4-2-3-6(5-10)9-7;1-5-3-2-4;5*2-1-3;/h2*5-10H,11-13H2,1-4H3;3-8,12-13H,9-11H2,1-2H3,(H,22,23)(H,24,25);3-8,18-19H,9-11H2,1-2H3;1-6,16-17H,7-9H2,(H,20,21)(H,22,23);4-6H,7H2,1-3H3;5-7H,1-4H3;3-5H,1-2H3;2-5H,1H3;5H,2-4H2,1H3;5*1-3H2;1H4/i/hH
• InChIKey: KLAWNOWFBGZMQT-FTGQXOHASA-N
• XLogP: 11.28
• TPSA: 939.98 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 55
• Rotatable Bonds: 50
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2798.18
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine?

The IUPAC name of 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine (CID 159165736) is 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine.

What is the SMILES notation for 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine?

The canonical SMILES for 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine is C.CC(=O)c1cccc(CN(C)CN(C)Cc2cccc(C(C)=O)n2)n1.CC(=O)c1cccc(CN(C)CN(C)Cc2cccc(C(C)=O)n2)n1.CC(=O)c1cccc(CNCNCc2cccc(C(C)=O)n2)n1.CC(C)(C)OC(=O)c1cccc(CBr)n1.CC(Cc1cccc(C(=O)O)n1)CC(C)Cc1cccc(C(=O)O)n1.COC(=O)c1cccc(C(=O)OC)n1.COC(=O)c1cccc(C=O)n1.Cc1cccc(C(=O)OC(C)(C)C)n1.NCN.NCN.NCN.NCN.NCN.O=C(O)c1cccc(CNCNCc2cccc(C(=O)O)n2)n1.[1H]NCCNC.

What is the InChIKey of 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine?

The InChIKey is KLAWNOWFBGZMQT-FTGQXOHASA-N. The full InChI is InChI=1S/2C19H24N4O2.C19H22N2O4.C17H20N4O2.C15H16N4O4.C11H14BrNO2.C11H15NO2.C9H9NO4.C8H7NO3.C3H10N2.5CH6N2.CH4/c2*1-14(24)18-9-5-7-16(20-18)11-22(3)13-23(4)12-17-8-6-10-19(21-17)15(2)25;1-12(10-14-5-3-7-16(20-14)18(22)23)9-13(2)11-15-6-4-8-17(21-15)19(24)25;1-12(22)16-7-3-5-14(20-16)9-18-11-19-10-15-6-4-8-17(21-15)13(2)23;20-14(21)12-5-1-3-10(18-12)7-16-9-17-8-11-4-2-6-13(19-11)15(22)23;1-11(2,3)15-10(14)9-6-4-5-8(7-12)13-9;1-8-6-5-7-9(12-8)10(13)14-11(2,3)4;1-13-8(11)6-4-3-5-7(10-6)9(12)14-2;1-12-8(11)7-4-2-3-6(5-10)9-7;1-5-3-2-4;5*2-1-3;/h2*5-10H,11-13H2,1-4H3;3-8,12-13H,9-11H2,1-2H3,(H,22,23)(H,24,25);3-8,18-19H,9-11H2,1-2H3;1-6,16-17H,7-9H2,(H,20,21)(H,22,23);4-6H,7H2,1-3H3;5-7H,1-4H3;3-5H,1-2H3;2-5H,1H3;5H,2-4H2,1H3;5*1-3H2;1H4/i/hH.

What are the key properties of 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine?

1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine has a molecular weight of 2798.18 g/mol, XLogP of 11.28, 50 rotatable bonds, 20 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[[(6-acetyl-2-pyridinyl)methylamino]methylamino]methyl]-2-pyridinyl]ethanone;bis(1-[6-[[[(6-acetyl-2-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-pyridinyl]ethanone);tert-butyl 6-(bromomethyl)pyridine-2-carboxylate;tert-butyl 6-methylpyridine-2-carboxylate;6-[5-(6-carboxy-2-pyridinyl)-2,4-dimethylpentyl]pyridine-2-carboxylic acid;6-[[[(6-carboxy-2-pyridinyl)methylamino]methylamino]methyl]pyridine-2-carboxylic acid;dimethyl pyridine-2,6-dicarboxylate;methane;pentakis(methanediamine);methyl 6-formylpyridine-2-carboxylate;N'-methyl-N-protioethane-1,2-diamine is sourced from PubChem (CID 159165736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).