tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine

C110H133N26O8+ — CID 157354724

About tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine

tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine (PubChem CID 157354724) has the molecular formula C110H133N26O8+ and a molecular weight of 1947.45 g/mol. Its IUPAC name is tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine.

Molecular Properties

• Compound Name: tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine
• PubChem CID: 157354724
• Molecular Formula: C110H133N26O8+
• Molecular Weight: 1947.45 g/mol
• Exact Mass: 1946.08
• IUPAC Name: tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine
• SMILES: CN(C(=O)OC(C)(C)C)c1cccc(CCN(C(=O)OC(C)(C)C)c2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1.CN(C(=O)OC(C)(C)C)c1cccc(CCN(C(=O)OC(C)(C)C)c2cccc(CCNC3=CC=C[C+]=N3)n2)n1.CNc1cccc(CCNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1.CNc1cccc(CCNc2cccc(CCNc3ccccn3)n2)n1
• InChI: InChI=1S/C35H43N7O4.C30H39N6O4.C25H27N7.C20H24N6/c1-34(2,3)45-32(43)40(7)30-18-12-14-26(38-30)21-25-42(33(44)46-35(4,5)6)31-19-13-15-27(39-31)20-24-41(28-16-8-10-22-36-28)29-17-9-11-23-37-29;1-29(2,3)39-27(37)35(7)25-15-10-13-23(33-25)18-21-36(28(38)40-30(4,5)6)26-16-11-12-22(34-26)17-20-32-24-14-8-9-19-31-24;1-26-22-10-6-8-20(30-22)14-18-27-23-11-7-9-21(31-23)15-19-32(24-12-2-4-16-28-24)25-13-3-5-17-29-25;1-21-18-9-4-6-16(25-18)12-15-24-20-10-5-7-17(26-20)11-14-23-19-8-2-3-13-22-19/h8-19,22-23H,20-21,24-25H2,1-7H3;8-16H,17-18,20-21H2,1-7H3,(H,31,32);2-13,16-17H,14-15,18-19H2,1H3,(H,26,30)(H,27,31);2-10,13H,11-12,14-15H2,1H3,(H,21,25)(H,22,23)(H,24,26)/q;+1
• InChIKey: BHYHIOIYBOHYBJ-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 376.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1947.45
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine?

The IUPAC name of tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine (CID 157354724) is tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine.

What is the SMILES notation for tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine?

The canonical SMILES for tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine is CN(C(=O)OC(C)(C)C)c1cccc(CCN(C(=O)OC(C)(C)C)c2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1.CN(C(=O)OC(C)(C)C)c1cccc(CCN(C(=O)OC(C)(C)C)c2cccc(CCNC3=CC=C[C+]=N3)n2)n1.CNc1cccc(CCNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1.CNc1cccc(CCNc2cccc(CCNc3ccccn3)n2)n1.

What is the InChIKey of tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine?

The InChIKey is BHYHIOIYBOHYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N7O4.C30H39N6O4.C25H27N7.C20H24N6/c1-34(2,3)45-32(43)40(7)30-18-12-14-26(38-30)21-25-42(33(44)46-35(4,5)6)31-19-13-15-27(39-31)20-24-41(28-16-8-10-22-36-28)29-17-9-11-23-37-29;1-29(2,3)39-27(37)35(7)25-15-10-13-23(33-25)18-21-36(28(38)40-30(4,5)6)26-16-11-12-22(34-26)17-20-32-24-14-8-9-19-31-24;1-26-22-10-6-8-20(30-22)14-18-27-23-11-7-9-21(31-23)15-19-32(24-12-2-4-16-28-24)25-13-3-5-17-29-25;1-21-18-9-4-6-16(25-18)12-15-24-20-10-5-7-17(26-20)11-14-23-19-8-2-3-13-22-19/h8-19,22-23H,20-21,24-25H2,1-7H3;8-16H,17-18,20-21H2,1-7H3,(H,31,32);2-13,16-17H,14-15,18-19H2,1H3,(H,26,30)(H,27,31);2-10,13H,11-12,14-15H2,1H3,(H,21,25)(H,22,23)(H,24,26)/q;+1;;.

What are the key properties of tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine?

tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine has a molecular weight of 1947.45 g/mol, XLogP of 19.89, 38 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine is sourced from PubChem (CID 157354724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).