5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine

C19H22ClN3O2 — CID 54761726

IUPAC5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine
SMILESClc1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/C19H22ClN3O2/c20-14-3-4-18(22-12-14)23-15-10-16(11-15)25-19-17(2-1-7-21-19)13-5-8-24-9-6-13/h1-4,7,12-13,15-16H,5-6,8-11H2,(H,22,23)
InChIKeyJIYNDMOZVSVFHS-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.05
Rot. Bonds5

About 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine

5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine (PubChem CID 54761726) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine
PubChem CID54761726
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine
SMILESClc1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/C19H22ClN3O2/c20-14-3-4-18(22-12-14)23-15-10-16(11-15)25-19-17(2-1-7-21-19)13-5-8-24-9-6-13/h1-4,7,12-13,15-16H,5-6,8-11H2,(H,22,23)
InChIKeyJIYNDMOZVSVFHS-UHFFFAOYSA-N
XLogP4.05
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine (CID 54761726) is 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine is Clc1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1.
What is the InChIKey of 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine?
The InChIKey is JIYNDMOZVSVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-14-3-4-18(22-12-14)23-15-10-16(11-15)25-19-17(2-1-7-21-19)13-5-8-24-9-6-13/h1-4,7,12-13,15-16H,5-6,8-11H2,(H,22,23).
What are the key properties of 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine?
5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine has a molecular weight of 359.86 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine is sourced from PubChem (CID 54761726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).