2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide

C16H14N4O — CID 66594635

IUPAC2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide
SMILESNC(=O)C1=CN2C=C3N(C=CC4=CC=CCN43)C=C2C=C1
InChIInChI=1S/C16H14N4O/c17-16(21)12-4-5-14-10-18-8-6-13-3-1-2-7-20(13)15(18)11-19(14)9-12/h1-6,8-11H,7H2,(H2,17,21)
InChIKeyAOSAXOGNPFZXRJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.47
Rot. Bonds1

About 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide

2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide (PubChem CID 66594635) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide.

Molecular Properties

Compound Name2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide
PubChem CID66594635
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide
SMILESNC(=O)C1=CN2C=C3N(C=CC4=CC=CCN43)C=C2C=C1
InChIInChI=1S/C16H14N4O/c17-16(21)12-4-5-14-10-18-8-6-13-3-1-2-7-20(13)15(18)11-19(14)9-12/h1-6,8-11H,7H2,(H2,17,21)
InChIKeyAOSAXOGNPFZXRJ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide?
The IUPAC name of 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide (CID 66594635) is 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide.
What is the SMILES notation for 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide?
The canonical SMILES for 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide is NC(=O)C1=CN2C=C3N(C=CC4=CC=CCN43)C=C2C=C1.
What is the InChIKey of 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide?
The InChIKey is AOSAXOGNPFZXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-16(21)12-4-5-14-10-18-8-6-13-3-1-2-7-20(13)15(18)11-19(14)9-12/h1-6,8-11H,7H2,(H2,17,21).
What are the key properties of 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide?
2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,17-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),4,6,8,11,13,15-heptaene-15-carboxamide is sourced from PubChem (CID 66594635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).