(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone

C19H28N4O3 — CID 58243445

IUPAC(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCOc1ccc(OC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)nc1
InChIInChI=1S/C19H28N4O3/c1-25-16-6-7-18(20-12-16)26-17-13-23(14-17)19(24)22-9-3-8-21(10-11-22)15-4-2-5-15/h6-7,12,15,17H,2-5,8-11,13-14H2,1H3
InChIKeyLFYBCARKUUTJRY-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.83
Rot. Bonds4

About (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone

(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone (PubChem CID 58243445) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone
PubChem CID58243445
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCOc1ccc(OC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)nc1
InChIInChI=1S/C19H28N4O3/c1-25-16-6-7-18(20-12-16)26-17-13-23(14-17)19(24)22-9-3-8-21(10-11-22)15-4-2-5-15/h6-7,12,15,17H,2-5,8-11,13-14H2,1H3
InChIKeyLFYBCARKUUTJRY-UHFFFAOYSA-N
XLogP1.83
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone (CID 58243445) is (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The canonical SMILES for (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone is COc1ccc(OC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)nc1.
What is the InChIKey of (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The InChIKey is LFYBCARKUUTJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-25-16-6-7-18(20-12-16)26-17-13-23(14-17)19(24)22-9-3-8-21(10-11-22)15-4-2-5-15/h6-7,12,15,17H,2-5,8-11,13-14H2,1H3.
What are the key properties of (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone?
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 58243445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).