3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide

C15H12N4O — CID 164809828

IUPAC3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide
SMILESNC(=O)C1=CN2C=C3N=CC4=C(CC=C4)N3C=C2C=C1
InChIInChI=1S/C15H12N4O/c16-15(20)11-4-5-12-8-19-13-3-1-2-10(13)6-17-14(19)9-18(12)7-11/h1-2,4-9H,3H2,(H2,16,20)
InChIKeyAQYDPSNEEIIBKG-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.48
Rot. Bonds1

About 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide

3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide (PubChem CID 164809828) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide.

Molecular Properties

Compound Name3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide
PubChem CID164809828
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide
SMILESNC(=O)C1=CN2C=C3N=CC4=C(CC=C4)N3C=C2C=C1
InChIInChI=1S/C15H12N4O/c16-15(20)11-4-5-12-8-19-13-3-1-2-10(13)6-17-14(19)9-18(12)7-11/h1-2,4-9H,3H2,(H2,16,20)
InChIKeyAQYDPSNEEIIBKG-UHFFFAOYSA-N
XLogP1.48
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-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 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide?
The IUPAC name of 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide (CID 164809828) is 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide.
What is the SMILES notation for 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide?
The canonical SMILES for 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide is NC(=O)C1=CN2C=C3N=CC4=C(CC=C4)N3C=C2C=C1.
What is the InChIKey of 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide?
The InChIKey is AQYDPSNEEIIBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15(20)11-4-5-12-8-19-13-3-1-2-10(13)6-17-14(19)9-18(12)7-11/h1-2,4-9H,3H2,(H2,16,20).
What are the key properties of 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide?
3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide is sourced from PubChem (CID 164809828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).