8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C14H10N6O2 — CID 56921419

IUPAC8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncnn2c2ccn(-c3ccc[nH]c3=O)c(=O)c12
InChIInChI=1S/C14H10N6O2/c1-8-11-9(20-14(18-8)16-7-17-20)4-6-19(13(11)22)10-3-2-5-15-12(10)21/h2-7H,1H3,(H,15,21)
InChIKeyYTGQUAOFRAOKRQ-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.43
Rot. Bonds1

About 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 56921419) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID56921419
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncnn2c2ccn(-c3ccc[nH]c3=O)c(=O)c12
InChIInChI=1S/C14H10N6O2/c1-8-11-9(20-14(18-8)16-7-17-20)4-6-19(13(11)22)10-3-2-5-15-12(10)21/h2-7H,1H3,(H,15,21)
InChIKeyYTGQUAOFRAOKRQ-UHFFFAOYSA-N
XLogP0.43
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 56921419) is 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cc1nc2ncnn2c2ccn(-c3ccc[nH]c3=O)c(=O)c12.
What is the InChIKey of 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is YTGQUAOFRAOKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2/c1-8-11-9(20-14(18-8)16-7-17-20)4-6-19(13(11)22)10-3-2-5-15-12(10)21/h2-7H,1H3,(H,15,21).
What are the key properties of 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 294.27 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-(2-oxo-1H-pyridin-3-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 56921419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).