4-(oxan-4-ylamino)pyridine-2-carbonitrile

C11H13N3O — CID 62924649

IUPAC4-(oxan-4-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NC2CCOCC2)ccn1
InChIInChI=1S/C11H13N3O/c12-8-11-7-10(1-4-13-11)14-9-2-5-15-6-3-9/h1,4,7,9H,2-3,5-6H2,(H,13,14)
InChIKeyQXWXSBVTOFZALP-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.54
Rot. Bonds2

About 4-(oxan-4-ylamino)pyridine-2-carbonitrile

4-(oxan-4-ylamino)pyridine-2-carbonitrile (PubChem CID 62924649) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(oxan-4-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(oxan-4-ylamino)pyridine-2-carbonitrile
PubChem CID62924649
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(oxan-4-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NC2CCOCC2)ccn1
InChIInChI=1S/C11H13N3O/c12-8-11-7-10(1-4-13-11)14-9-2-5-15-6-3-9/h1,4,7,9H,2-3,5-6H2,(H,13,14)
InChIKeyQXWXSBVTOFZALP-UHFFFAOYSA-N
XLogP1.54
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(oxan-4-ylamino)pyridine-2-carbonitrile (CID 62924649) is 4-(oxan-4-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(oxan-4-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(oxan-4-ylamino)pyridine-2-carbonitrile is N#Cc1cc(NC2CCOCC2)ccn1.
What is the InChIKey of 4-(oxan-4-ylamino)pyridine-2-carbonitrile?
The InChIKey is QXWXSBVTOFZALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-8-11-7-10(1-4-13-11)14-9-2-5-15-6-3-9/h1,4,7,9H,2-3,5-6H2,(H,13,14).
What are the key properties of 4-(oxan-4-ylamino)pyridine-2-carbonitrile?
4-(oxan-4-ylamino)pyridine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 62924649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).