2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile

C24H20N6O — CID 11154057

IUPAC2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1
InChIInChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2
InChIKeyKSYVJHGNJMYDIQ-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.39
Rot. Bonds4

About 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile

2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile (PubChem CID 11154057) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile
PubChem CID11154057
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1
InChIInChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2
InChIKeyKSYVJHGNJMYDIQ-UHFFFAOYSA-N
XLogP4.39
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile (CID 11154057) is 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile is N#Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1.
What is the InChIKey of 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile?
The InChIKey is KSYVJHGNJMYDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2.
What are the key properties of 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile?
2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile has a molecular weight of 408.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 11154057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).