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

C11H12N6O — CID 106414189

IUPAC5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1noc(CCNc2ncc(C#N)cc2N)n1
InChIInChI=1S/C11H12N6O/c1-7-16-10(18-17-7)2-3-14-11-9(13)4-8(5-12)6-15-11/h4,6H,2-3,13H2,1H3,(H,14,15)
InChIKeyKVOJOACXOXMLSH-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.88
Rot. Bonds4

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

5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 106414189) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID106414189
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1noc(CCNc2ncc(C#N)cc2N)n1
InChIInChI=1S/C11H12N6O/c1-7-16-10(18-17-7)2-3-14-11-9(13)4-8(5-12)6-15-11/h4,6H,2-3,13H2,1H3,(H,14,15)
InChIKeyKVOJOACXOXMLSH-UHFFFAOYSA-N
XLogP0.88
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186890
5-amino-6-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468756
6-N-ethyl-5-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106424403
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 75377092
3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile
CID 106417648
5-amino-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 106259794
3-fluoro-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 56787997
5-amino-6-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 103467700
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
5-ethyl-6-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106424754
4-bromo-2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 114185801

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile (CID 106414189) is 5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile is Cc1noc(CCNc2ncc(C#N)cc2N)n1.
What is the InChIKey of 5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is KVOJOACXOXMLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7-16-10(18-17-7)2-3-14-11-9(13)4-8(5-12)6-15-11/h4,6H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 244.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 106414189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).