6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile

C14H9N7O — CID 134229415

IUPAC6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(C#N)n1
InChIInChI=1S/C14H9N7O/c1-7-10(12(17)13-14(18-7)21-22-20-13)4-9-3-2-8(5-15)11(6-16)19-9/h2-3H,4,17H2,1H3
InChIKeyOJIQCIUCBLXSJF-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.24
Rot. Bonds2

About 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile

6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile (PubChem CID 134229415) has the molecular formula C14H9N7O and a molecular weight of 291.27 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile
PubChem CID134229415
Molecular FormulaC14H9N7O
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(C#N)n1
InChIInChI=1S/C14H9N7O/c1-7-10(12(17)13-14(18-7)21-22-20-13)4-9-3-2-8(5-15)11(6-16)19-9/h2-3H,4,17H2,1H3
InChIKeyOJIQCIUCBLXSJF-UHFFFAOYSA-N
XLogP1.24
TPSA138.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile?
The IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile (CID 134229415) is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile.
What is the SMILES notation for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile?
The canonical SMILES for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile is Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(C#N)n1.
What is the InChIKey of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile?
The InChIKey is OJIQCIUCBLXSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N7O/c1-7-10(12(17)13-14(18-7)21-22-20-13)4-9-3-2-8(5-15)11(6-16)19-9/h2-3H,4,17H2,1H3.
What are the key properties of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile?
6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile has a molecular weight of 291.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyridine-2,3-dicarbonitrile is sourced from PubChem (CID 134229415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).