1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide

C16H14N4O — CID 164590481

IUPAC1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide
SMILESNC(=O)C1=CN2C(=CN3C=c4ccccc4=CN2C3)C=C1
InChIInChI=1S/C16H14N4O/c17-16(21)14-5-6-15-10-18-7-12-3-1-2-4-13(12)8-19(11-18)20(15)9-14/h1-10H,11H2,(H2,17,21)
InChIKeyCVOSYRFZYJYVOP-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.25
Rot. Bonds1

About 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide

1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide (PubChem CID 164590481) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide.

Molecular Properties

Compound Name1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide
PubChem CID164590481
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide
SMILESNC(=O)C1=CN2C(=CN3C=c4ccccc4=CN2C3)C=C1
InChIInChI=1S/C16H14N4O/c17-16(21)14-5-6-15-10-18-7-12-3-1-2-4-13(12)8-19(11-18)20(15)9-14/h1-10H,11H2,(H2,17,21)
InChIKeyCVOSYRFZYJYVOP-UHFFFAOYSA-N
XLogP-0.25
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-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

Frequently Asked Questions

What is the IUPAC name of 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide?
The IUPAC name of 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide (CID 164590481) is 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide.
What is the SMILES notation for 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide?
The canonical SMILES for 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide is NC(=O)C1=CN2C(=CN3C=c4ccccc4=CN2C3)C=C1.
What is the InChIKey of 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide?
The InChIKey is CVOSYRFZYJYVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-16(21)14-5-6-15-10-18-7-12-3-1-2-4-13(12)8-19(11-18)20(15)9-14/h1-10H,11H2,(H2,17,21).
What are the key properties of 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide?
1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide has a molecular weight of 278.32 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,11-triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide is sourced from PubChem (CID 164590481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).