(6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C14H17ClN2O3 — CID 167911859

IUPAC(6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1ccc(Cl)nc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17ClN2O3/c1-10-2-3-11(15)16-12(10)13(18)17-6-4-14(5-7-17)19-8-9-20-14/h2-3H,4-9H2,1H3
InChIKeyCPIDUCQGLJLJTQ-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.02
Rot. Bonds1

About (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 167911859) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID167911859
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1ccc(Cl)nc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17ClN2O3/c1-10-2-3-11(15)16-12(10)13(18)17-6-4-14(5-7-17)19-8-9-20-14/h2-3H,4-9H2,1H3
InChIKeyCPIDUCQGLJLJTQ-UHFFFAOYSA-N
XLogP2.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110299051
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone
CID 110702838
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109310037
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392836
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47281792
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78995303
(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 126469525
[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109372937

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 167911859) is (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1ccc(Cl)nc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is CPIDUCQGLJLJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-10-2-3-11(15)16-12(10)13(18)17-6-4-14(5-7-17)19-8-9-20-14/h2-3H,4-9H2,1H3.
What are the key properties of (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 296.75 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 167911859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).