6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C26H16N4O4 — CID 2925566

IUPAC6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1Cc1cccnc1)C(=O)N(Cc1cccnc1)C3=O
InChIInChI=1S/C26H16N4O4/c31-23-17-5-7-19-22-20(26(34)30(25(19)33)14-16-4-2-10-28-12-16)8-6-18(21(17)22)24(32)29(23)13-15-3-1-9-27-11-15/h1-12H,13-14H2
InChIKeyHUJLHRODTSXIFO-UHFFFAOYSA-N
MW448.44 g/mol
LogP3.22
Rot. Bonds4

About 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 2925566) has the molecular formula C26H16N4O4 and a molecular weight of 448.44 g/mol. Its IUPAC name is 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID2925566
Molecular FormulaC26H16N4O4
Molecular Weight448.44 g/mol
Exact Mass448.12
IUPAC Name6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1Cc1cccnc1)C(=O)N(Cc1cccnc1)C3=O
InChIInChI=1S/C26H16N4O4/c31-23-17-5-7-19-22-20(26(34)30(25(19)33)14-16-4-2-10-28-12-16)8-6-18(21(17)22)24(32)29(23)13-15-3-1-9-27-11-15/h1-12H,13-14H2
InChIKeyHUJLHRODTSXIFO-UHFFFAOYSA-N
XLogP3.22
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 2925566) is 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is O=C1c2ccc3c4c(ccc(c24)C(=O)N1Cc1cccnc1)C(=O)N(Cc1cccnc1)C3=O.
What is the InChIKey of 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is HUJLHRODTSXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4O4/c31-23-17-5-7-19-22-20(26(34)30(25(19)33)14-16-4-2-10-28-12-16)8-6-18(21(17)22)24(32)29(23)13-15-3-1-9-27-11-15/h1-12H,13-14H2.
What are the key properties of 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 448.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(pyridin-3-ylmethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 2925566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).