9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide

C23H26N4O2 — CID 162763908

IUPAC9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cccn2c(=O)c3cc4c(cc3nc12)CCCC4
InChIInChI=1S/C23H26N4O2/c28-22(24-9-13-26-10-3-4-11-26)18-8-5-12-27-21(18)25-20-15-17-7-2-1-6-16(17)14-19(20)23(27)29/h5,8,12,14-15H,1-4,6-7,9-11,13H2,(H,24,28)
InChIKeyFDDOSFGRXSJQCV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.55
Rot. Bonds4

About 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide

9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide (PubChem CID 162763908) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide.

Molecular Properties

Compound Name9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide
PubChem CID162763908
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cccn2c(=O)c3cc4c(cc3nc12)CCCC4
InChIInChI=1S/C23H26N4O2/c28-22(24-9-13-26-10-3-4-11-26)18-8-5-12-27-21(18)25-20-15-17-7-2-1-6-16(17)14-19(20)23(27)29/h5,8,12,14-15H,1-4,6-7,9-11,13H2,(H,24,28)
InChIKeyFDDOSFGRXSJQCV-UHFFFAOYSA-N
XLogP2.55
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide?
The IUPAC name of 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide (CID 162763908) is 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide.
What is the SMILES notation for 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide?
The canonical SMILES for 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide is O=C(NCCN1CCCC1)c1cccn2c(=O)c3cc4c(cc3nc12)CCCC4.
What is the InChIKey of 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide?
The InChIKey is FDDOSFGRXSJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(24-9-13-26-10-3-4-11-26)18-8-5-12-27-21(18)25-20-15-17-7-2-1-6-16(17)14-19(20)23(27)29/h5,8,12,14-15H,1-4,6-7,9-11,13H2,(H,24,28).
What are the key properties of 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide?
9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide is sourced from PubChem (CID 162763908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).