15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

C21H12N2O2 — CID 10471490

IUPAC15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1c1cccnc1
InChIInChI=1S/C21H12N2O2/c24-20-17-9-3-6-14-11-13-5-1-2-8-16(13)19(18(14)17)21(25)23(20)15-7-4-10-22-12-15/h1-12H
InChIKeyMESDJICNRXZZPW-UHFFFAOYSA-N
MW324.34 g/mol
LogP4.19
Rot. Bonds1

About 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10471490) has the molecular formula C21H12N2O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.

Molecular Properties

Compound Name15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10471490
Molecular FormulaC21H12N2O2
Molecular Weight324.34 g/mol
Exact Mass324.09
IUPAC Name15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESO=C1c2cccc3cc4ccccc4c(c23)C(=O)N1c1cccnc1
InChIInChI=1S/C21H12N2O2/c24-20-17-9-3-6-14-11-13-5-1-2-8-16(13)19(18(14)17)21(25)23(20)15-7-4-10-22-12-15/h1-12H
InChIKeyMESDJICNRXZZPW-UHFFFAOYSA-N
XLogP4.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The IUPAC name of 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10471490) is 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.
What is the SMILES notation for 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The canonical SMILES for 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1c1cccnc1.
What is the InChIKey of 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The InChIKey is MESDJICNRXZZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O2/c24-20-17-9-3-6-14-11-13-5-1-2-8-16(13)19(18(14)17)21(25)23(20)15-7-4-10-22-12-15/h1-12H.
What are the key properties of 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione has a molecular weight of 324.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-pyridin-3-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is sourced from PubChem (CID 10471490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).