8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide

C24H31N7O5 — CID 145084636

About 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide

8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide (PubChem CID 145084636) has the molecular formula C24H31N7O5 and a molecular weight of 497.56 g/mol. Its IUPAC name is 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide.

Molecular Properties

• Compound Name: 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide
• PubChem CID: 145084636
• Molecular Formula: C24H31N7O5
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.24
• IUPAC Name: 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide
• SMILES: CCNC(=O)c1ncc2c(n1)N(C(=O)Nc1cccc(OCC3COC(C)(C)O3)n1)C1CCCN2C1
• InChI: InChI=1S/C24H31N7O5/c1-4-25-22(32)20-26-11-17-21(29-20)31(15-7-6-10-30(17)12-15)23(33)28-18-8-5-9-19(27-18)34-13-16-14-35-24(2,3)36-16/h5,8-9,11,15-16H,4,6-7,10,12-14H2,1-3H3,(H,25,32)(H,27,28,33)
• InChIKey: HUEHMRCEQHMLAU-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 131.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide?

The IUPAC name of 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide (CID 145084636) is 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide.

What is the SMILES notation for 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide?

The canonical SMILES for 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide is CCNC(=O)c1ncc2c(n1)N(C(=O)Nc1cccc(OCC3COC(C)(C)O3)n1)C1CCCN2C1.

What is the InChIKey of 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide?

The InChIKey is HUEHMRCEQHMLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O5/c1-4-25-22(32)20-26-11-17-21(29-20)31(15-7-6-10-30(17)12-15)23(33)28-18-8-5-9-19(27-18)34-13-16-14-35-24(2,3)36-16/h5,8-9,11,15-16H,4,6-7,10,12-14H2,1-3H3,(H,25,32)(H,27,28,33).

What are the key properties of 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide?

8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide has a molecular weight of 497.56 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-5-N-ethyl-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide is sourced from PubChem (CID 145084636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).