3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide

C15H10N4OSe — CID 102220693

IUPAC3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide
SMILESNC(=O)N1c2ccccc2-c2nn[se]c2-c2ccccc21
InChIInChI=1S/C15H10N4OSe/c16-15(20)19-11-7-3-1-5-9(11)13-14(21-18-17-13)10-6-2-4-8-12(10)19/h1-8H,(H2,16,20)
InChIKeyZQDPTLCYKARBCA-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.40
Rot. Bonds

About 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide

3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide (PubChem CID 102220693) has the molecular formula C15H10N4OSe and a molecular weight of 341.23 g/mol. Its IUPAC name is 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide.

Molecular Properties

Compound Name3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide
PubChem CID102220693
Molecular FormulaC15H10N4OSe
Molecular Weight341.23 g/mol
Exact Mass342.00
IUPAC Name3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide
SMILESNC(=O)N1c2ccccc2-c2nn[se]c2-c2ccccc21
InChIInChI=1S/C15H10N4OSe/c16-15(20)19-11-7-3-1-5-9(11)13-14(21-18-17-13)10-6-2-4-8-12(10)19/h1-8H,(H2,16,20)
InChIKeyZQDPTLCYKARBCA-UHFFFAOYSA-N
XLogP2.40
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 95162157
ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 143893495
4-oxo-2,3-dihydroquinazoline-1-carboxamide
CID 23023743
2-[(Z)-(11-carbamoyl-6H-benzo[b][1]benzazepin-5-ylidene)amino]oxyacetic acid
CID 89300256
1-(3,4,5,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)pentane-1,4-dione
CID 139474090
bis(benzo[b][1]benzazepine-11-carboxamide);propanedioic acid
CID 139194666
[(11-carbamoyl-6H-benzo[b][1]benzazepin-5-ylidene)amino] benzoate
CID 57037687
10-hydroxybenzo[d][1]benzazepine-5-carboxamide
CID 54226208
1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 158215150
3-bromobenzo[b][1]benzazepine-11-carboxamide
CID 71449990
(2E)-1-(2-methylpropanoyl)-2-[1-(2-methylpropanoyl)-3-oxoindol-2-ylidene]indol-3-one
CID 12827722
2-oxopyrido[2,3-b][1,4]oxazine-1-carboxamide
CID 173185596

Frequently Asked Questions

What is the IUPAC name of 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide?
The IUPAC name of 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide (CID 102220693) is 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide.
What is the SMILES notation for 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide?
The canonical SMILES for 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide is NC(=O)N1c2ccccc2-c2nn[se]c2-c2ccccc21.
What is the InChIKey of 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide?
The InChIKey is ZQDPTLCYKARBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OSe/c16-15(20)19-11-7-3-1-5-9(11)13-14(21-18-17-13)10-6-2-4-8-12(10)19/h1-8H,(H2,16,20).
What are the key properties of 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide?
3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide has a molecular weight of 341.23 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide is sourced from PubChem (CID 102220693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).