2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide

C35H43N7O4 — CID 70647163

About 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide

2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide (PubChem CID 70647163) has the molecular formula C35H43N7O4 and a molecular weight of 625.77 g/mol. Its IUPAC name is 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide.

Molecular Properties

• Compound Name: 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide
• PubChem CID: 70647163
• Molecular Formula: C35H43N7O4
• Molecular Weight: 625.77 g/mol
• Exact Mass: 625.34
• IUPAC Name: 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide
• SMILES: CCc1nnc(C2(C[C@@H](C)NCC(=O)N3CCCC3C#N)c3ccc(C(=O)N(C)C)cc3CCc3cc(C(=O)N(C)C)ccc32)o1
• InChI: InChI=1S/C35H43N7O4/c1-7-30-38-39-34(46-30)35(19-22(2)37-21-31(43)42-16-8-9-27(42)20-36)28-14-12-25(32(44)40(3)4)17-23(28)10-11-24-18-26(13-15-29(24)35)33(45)41(5)6/h12-15,17-18,22,27,37H,7-11,16,19,21H2,1-6H3/t22-,27?/m1/s1
• InChIKey: SUJTWVBBVGYVBD-XVPAFAEQSA-N
• XLogP: 3.35
• TPSA: 135.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.77
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?

The IUPAC name of 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide (CID 70647163) is 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide.

What is the SMILES notation for 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?

The canonical SMILES for 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide is CCc1nnc(C2(C[C@@H](C)NCC(=O)N3CCCC3C#N)c3ccc(C(=O)N(C)C)cc3CCc3cc(C(=O)N(C)C)ccc32)o1.

What is the InChIKey of 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?

The InChIKey is SUJTWVBBVGYVBD-XVPAFAEQSA-N. The full InChI is InChI=1S/C35H43N7O4/c1-7-30-38-39-34(46-30)35(19-22(2)37-21-31(43)42-16-8-9-27(42)20-36)28-14-12-25(32(44)40(3)4)17-23(28)10-11-24-18-26(13-15-29(24)35)33(45)41(5)6/h12-15,17-18,22,27,37H,7-11,16,19,21H2,1-6H3/t22-,27?/m1/s1.

What are the key properties of 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?

2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide has a molecular weight of 625.77 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propyl]-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide is sourced from PubChem (CID 70647163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).