3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile

C11H11N5O — CID 62893857

IUPAC3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCc1noc(CNCc2cccnc2C#N)n1
InChIInChI=1S/C11H11N5O/c1-8-15-11(17-16-8)7-13-6-9-3-2-4-14-10(9)5-12/h2-4,13H,6-7H2,1H3
InChIKeySLHMHHFZYFEGEP-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.93
Rot. Bonds4

About 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile

3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62893857) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID62893857
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCc1noc(CNCc2cccnc2C#N)n1
InChIInChI=1S/C11H11N5O/c1-8-15-11(17-16-8)7-13-6-9-3-2-4-14-10(9)5-12/h2-4,13H,6-7H2,1H3
InChIKeySLHMHHFZYFEGEP-UHFFFAOYSA-N
XLogP0.93
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile (CID 62893857) is 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile is Cc1noc(CNCc2cccnc2C#N)n1.
What is the InChIKey of 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is SLHMHHFZYFEGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-8-15-11(17-16-8)7-13-6-9-3-2-4-14-10(9)5-12/h2-4,13H,6-7H2,1H3.
What are the key properties of 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile?
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62893857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).