11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile

C19H9N3O — CID 626482

IUPAC11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile
SMILESN#Cc1ccc2c(c1)nc1c3cccc4cccc(c(=O)n21)c43
InChIInChI=1S/C19H9N3O/c20-10-11-7-8-16-15(9-11)21-18-13-5-1-3-12-4-2-6-14(17(12)13)19(23)22(16)18/h1-9H
InChIKeyYVOCMASUFBMFKA-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.46
Rot. Bonds

About 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile

11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile (PubChem CID 626482) has the molecular formula C19H9N3O and a molecular weight of 295.30 g/mol. Its IUPAC name is 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile.

Molecular Properties

Compound Name11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile
PubChem CID626482
Molecular FormulaC19H9N3O
Molecular Weight295.30 g/mol
Exact Mass295.07
IUPAC Name11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile
SMILESN#Cc1ccc2c(c1)nc1c3cccc4cccc(c(=O)n21)c43
InChIInChI=1S/C19H9N3O/c20-10-11-7-8-16-15(9-11)21-18-13-5-1-3-12-4-2-6-14(17(12)13)19(23)22(16)18/h1-9H
InChIKeyYVOCMASUFBMFKA-UHFFFAOYSA-N
XLogP3.46
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile?
The IUPAC name of 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile (CID 626482) is 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile.
What is the SMILES notation for 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile?
The canonical SMILES for 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile is N#Cc1ccc2c(c1)nc1c3cccc4cccc(c(=O)n21)c43.
What is the InChIKey of 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile?
The InChIKey is YVOCMASUFBMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9N3O/c20-10-11-7-8-16-15(9-11)21-18-13-5-1-3-12-4-2-6-14(17(12)13)19(23)22(16)18/h1-9H.
What are the key properties of 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile?
11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile has a molecular weight of 295.30 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-6-carbonitrile is sourced from PubChem (CID 626482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).