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

C12H13N5O — CID 113343673

IUPAC6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCc2noc(C)n2)n1
InChIInChI=1S/C12H13N5O/c1-8-3-4-10(7-13)12(15-8)14-6-5-11-16-9(2)18-17-11/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyFEFZPGMFCCLBSO-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.61
Rot. Bonds4

About 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile

6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 113343673) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID113343673
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCc2noc(C)n2)n1
InChIInChI=1S/C12H13N5O/c1-8-3-4-10(7-13)12(15-8)14-6-5-11-16-9(2)18-17-11/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyFEFZPGMFCCLBSO-UHFFFAOYSA-N
XLogP1.61
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114185740
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
3-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 106417563
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
2-[2-(ethylamino)ethylamino]-6-methylpyridine-3-carbonitrile
CID 62664814
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
CID 130504273
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
CID 106842221
6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile
CID 107488727
4-fluoro-2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]benzonitrile
CID 103760725
5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide
CID 106236909
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 114183772

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile (CID 113343673) is 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NCCc2noc(C)n2)n1.
What is the InChIKey of 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is FEFZPGMFCCLBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-3-4-10(7-13)12(15-8)14-6-5-11-16-9(2)18-17-11/h3-4H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile?
6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 113343673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).