(4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone

C21H24FN3O2 — CID 24770908

IUPAC(4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2F)cn1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C21H24FN3O2/c22-18-7-1-2-8-20(18)27-17-9-10-19(23-15-17)21(26)25-12-4-11-24(13-14-25)16-5-3-6-16/h1-2,7-10,15-16H,3-6,11-14H2
InChIKeyFNRRHNPFKUIWCR-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.71
Rot. Bonds4

About (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone

(4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone (PubChem CID 24770908) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone
PubChem CID24770908
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name(4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2F)cn1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C21H24FN3O2/c22-18-7-1-2-8-20(18)27-17-9-10-19(23-15-17)21(26)25-12-4-11-24(13-14-25)16-5-3-6-16/h1-2,7-10,15-16H,3-6,11-14H2
InChIKeyFNRRHNPFKUIWCR-UHFFFAOYSA-N
XLogP3.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

Jnj-39220675
CID 24771368
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771416
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(3-fluorophenoxy)pyridin-3-yl)methanone
CID 24771524
(5-(3,4-Dichlorophenoxy)pyridin-2-yl)(4-isopropyl-1,4-diazepan-1-yl)methanone
CID 24771627
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-2-carboxamide
CID 68504950
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethylpyridine-2-carboxamide
CID 68506820
1-[5-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-2-pyridinyl]ethanone
CID 76320902
(5-(3-Chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 24770906
(4-Cyclobutyl-1,4-diazepan-1-yl)(5-(3-fluorophenoxy)pyridin-2-yl)methanone
CID 24770907
(4-Cyclopropyl-1,4-diazepan-1-yl)(6-(4-fluorophenoxy)pyridin-3-yl)methanone
CID 24771367
(4-Cyclopropyl-1,4-diazepan-1-yl)(6-(3-fluorophenoxy)pyridin-3-yl)methanone
CID 24771522
(4-Cyclopropyl-1,4-diazepan-1-yl)(5-(3,4-dichlorophenoxy)pyridin-2-yl)methanone
CID 24771629

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone?
The IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone (CID 24770908) is (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone.
What is the SMILES notation for (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone?
The canonical SMILES for (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone is O=C(c1ccc(Oc2ccccc2F)cn1)N1CCCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone?
The InChIKey is FNRRHNPFKUIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-7-1-2-8-20(18)27-17-9-10-19(23-15-17)21(26)25-12-4-11-24(13-14-25)16-5-3-6-16/h1-2,7-10,15-16H,3-6,11-14H2.
What are the key properties of (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone?
(4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone has a molecular weight of 369.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-1,4-diazepan-1-yl)-[5-(2-fluorophenoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 24770908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).