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

C12H13N5O — CID 131908374

IUPAC6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
SMILESCc1nc(CCN(C)c2cccc(C#N)n2)no1
InChIInChI=1S/C12H13N5O/c1-9-14-11(16-18-9)6-7-17(2)12-5-3-4-10(8-13)15-12/h3-5H,6-7H2,1-2H3
InChIKeyKWIXANAXQRTTKF-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.32
Rot. Bonds4

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

6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile (PubChem CID 131908374) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
PubChem CID131908374
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
SMILESCc1nc(CCN(C)c2cccc(C#N)n2)no1
InChIInChI=1S/C12H13N5O/c1-9-14-11(16-18-9)6-7-17(2)12-5-3-4-10(8-13)15-12/h3-5H,6-7H2,1-2H3
InChIKeyKWIXANAXQRTTKF-UHFFFAOYSA-N
XLogP1.32
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile (CID 131908374) is 6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile is Cc1nc(CCN(C)c2cccc(C#N)n2)no1.
What is the InChIKey of 6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile?
The InChIKey is KWIXANAXQRTTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-9-14-11(16-18-9)6-7-17(2)12-5-3-4-10(8-13)15-12/h3-5H,6-7H2,1-2H3.
What are the key properties of 6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile?
6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 131908374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).