[6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

C21H24ClN3O2 — CID 24771419

IUPAC[6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1ccc(Oc2cccc(Cl)c2)nc1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2
InChIKeyHWQIIVFZLJEVAL-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.23
Rot. Bonds4

About [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

[6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone (PubChem CID 24771419) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
PubChem CID24771419
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name[6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1ccc(Oc2cccc(Cl)c2)nc1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2
InChIKeyHWQIIVFZLJEVAL-UHFFFAOYSA-N
XLogP4.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

Jnj-39220675
CID 24771368
2-(4-Chlorophenoxy)nicotinamide
CID 2774902
3-(5-(4-Cyclobutyl-1,4-diazepane-1-carbonyl)pyridin-2-yloxy)benzonitrile
CID 23624312
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(3,4-dichlorophenoxy)pyridin-3-yl)methanone
CID 24771363
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771416
(6-(4-Chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 24771420
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(3-fluorophenoxy)pyridin-3-yl)methanone
CID 24771524
6-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide
CID 57755473
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-3-carboxamide
CID 68507598
[6-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 69094686
2-(3-Chlorophenoxy)nicotinamide
CID 1211466
(5-(3-Chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 24770906

Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone (CID 24771419) is [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone is O=C(c1ccc(Oc2cccc(Cl)c2)nc1)N1CCCN(C2CCC2)CC1.
What is the InChIKey of [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
The InChIKey is HWQIIVFZLJEVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2.
What are the key properties of [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
[6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone has a molecular weight of 385.90 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 24771419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).