2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide

C21H21N5O2 — CID 71275145

IUPAC2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide
SMILESN#Cc1c2c(c(N3CCC(OCC(N)=O)C3)n3c1nc1ccccc13)CCC2
InChIInChI=1S/C21H21N5O2/c22-10-16-14-4-3-5-15(14)21(25-9-8-13(11-25)28-12-19(23)27)26-18-7-2-1-6-17(18)24-20(16)26/h1-2,6-7,13H,3-5,8-9,11-12H2,(H2,23,27)
InChIKeyUILIYOZROQFXBU-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide

2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide (PubChem CID 71275145) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide.

Molecular Properties

Compound Name2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide
PubChem CID71275145
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide
SMILESN#Cc1c2c(c(N3CCC(OCC(N)=O)C3)n3c1nc1ccccc13)CCC2
InChIInChI=1S/C21H21N5O2/c22-10-16-14-4-3-5-15(14)21(25-9-8-13(11-25)28-12-19(23)27)26-18-7-2-1-6-17(18)24-20(16)26/h1-2,6-7,13H,3-5,8-9,11-12H2,(H2,23,27)
InChIKeyUILIYOZROQFXBU-UHFFFAOYSA-N
XLogP1.93
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide?
The IUPAC name of 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide (CID 71275145) is 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide.
What is the SMILES notation for 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide?
The canonical SMILES for 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide is N#Cc1c2c(c(N3CCC(OCC(N)=O)C3)n3c1nc1ccccc13)CCC2.
What is the InChIKey of 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide?
The InChIKey is UILIYOZROQFXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-10-16-14-4-3-5-15(14)21(25-9-8-13(11-25)28-12-19(23)27)26-18-7-2-1-6-17(18)24-20(16)26/h1-2,6-7,13H,3-5,8-9,11-12H2,(H2,23,27).
What are the key properties of 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide?
2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide has a molecular weight of 375.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(10-cyano-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-yl)pyrrolidin-3-yl]oxyacetamide is sourced from PubChem (CID 71275145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).