N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide

C20H26N6O2 — CID 155223118

IUPACN-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ncc2cc3n(c2n1)C1(CCCCC1)CNC3=O
InChIInChI=1S/C20H26N6O2/c27-16(10-14-5-4-8-21-14)24-19-22-11-13-9-15-18(28)23-12-20(6-2-1-3-7-20)26(15)17(13)25-19/h9,11,14,21H,1-8,10,12H2,(H,23,28)(H,22,24,25,27)
InChIKeyDWSQAPOKAPIJIY-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.91
Rot. Bonds3

About N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide

N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 155223118) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID155223118
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ncc2cc3n(c2n1)C1(CCCCC1)CNC3=O
InChIInChI=1S/C20H26N6O2/c27-16(10-14-5-4-8-21-14)24-19-22-11-13-9-15-18(28)23-12-20(6-2-1-3-7-20)26(15)17(13)25-19/h9,11,14,21H,1-8,10,12H2,(H,23,28)(H,22,24,25,27)
InChIKeyDWSQAPOKAPIJIY-UHFFFAOYSA-N
XLogP1.91
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide (CID 155223118) is N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1ncc2cc3n(c2n1)C1(CCCCC1)CNC3=O.
What is the InChIKey of N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is DWSQAPOKAPIJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-16(10-14-5-4-8-21-14)24-19-22-11-13-9-15-18(28)23-12-20(6-2-1-3-7-20)26(15)17(13)25-19/h9,11,14,21H,1-8,10,12H2,(H,23,28)(H,22,24,25,27).
What are the key properties of N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide?
N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 382.47 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 155223118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).