6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile

C20H22N4O2 — CID 54761725

IUPAC6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/C20H22N4O2/c21-12-14-3-4-19(23-13-14)24-16-10-17(11-16)26-20-18(2-1-7-22-20)15-5-8-25-9-6-15/h1-4,7,13,15-17H,5-6,8-11H2,(H,23,24)
InChIKeyORIYYUBRDLBJSH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.26
Rot. Bonds5

About 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile

6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile (PubChem CID 54761725) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile
PubChem CID54761725
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/C20H22N4O2/c21-12-14-3-4-19(23-13-14)24-16-10-17(11-16)26-20-18(2-1-7-22-20)15-5-8-25-9-6-15/h1-4,7,13,15-17H,5-6,8-11H2,(H,23,24)
InChIKeyORIYYUBRDLBJSH-UHFFFAOYSA-N
XLogP3.26
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile (CID 54761725) is 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1.
What is the InChIKey of 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile?
The InChIKey is ORIYYUBRDLBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-12-14-3-4-19(23-13-14)24-16-10-17(11-16)26-20-18(2-1-7-22-20)15-5-8-25-9-6-15/h1-4,7,13,15-17H,5-6,8-11H2,(H,23,24).
What are the key properties of 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile?
6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 54761725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).