2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile

C11H14N4 — CID 66185869

IUPAC2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC2CNC2)n1
InChIInChI=1S/C11H14N4/c1-7-3-8(2)14-11(10(7)4-12)15-9-5-13-6-9/h3,9,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyIRULRFWYTAQQMW-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.95
Rot. Bonds2

About 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile

2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 66185869) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID66185869
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC2CNC2)n1
InChIInChI=1S/C11H14N4/c1-7-3-8(2)14-11(10(7)4-12)15-9-5-13-6-9/h3,9,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyIRULRFWYTAQQMW-UHFFFAOYSA-N
XLogP0.95
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile (CID 66185869) is 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NC2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is IRULRFWYTAQQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-7-3-8(2)14-11(10(7)4-12)15-9-5-13-6-9/h3,9,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile?
2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 66185869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).