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

C20H25N3O2 — CID 54761374

IUPAC5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine
SMILESCc1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/C20H25N3O2/c1-14-4-5-19(22-13-14)23-16-11-17(12-16)25-20-18(3-2-8-21-20)15-6-9-24-10-7-15/h2-5,8,13,15-17H,6-7,9-12H2,1H3,(H,22,23)
InChIKeyIDVOWFCUTYLYRH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.70
Rot. Bonds5

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

5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine (PubChem CID 54761374) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine
PubChem CID54761374
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine
SMILESCc1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/C20H25N3O2/c1-14-4-5-19(22-13-14)23-16-11-17(12-16)25-20-18(3-2-8-21-20)15-6-9-24-10-7-15/h2-5,8,13,15-17H,6-7,9-12H2,1H3,(H,22,23)
InChIKeyIDVOWFCUTYLYRH-UHFFFAOYSA-N
XLogP3.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine?
The IUPAC name of 5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine (CID 54761374) is 5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine is Cc1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1.
What is the InChIKey of 5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine?
The InChIKey is IDVOWFCUTYLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-4-5-19(22-13-14)23-16-11-17(12-16)25-20-18(3-2-8-21-20)15-6-9-24-10-7-15/h2-5,8,13,15-17H,6-7,9-12H2,1H3,(H,22,23).
What are the key properties of 5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine?
5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine has a molecular weight of 339.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine is sourced from PubChem (CID 54761374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).