(2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone

C15H17ClN2O2 — CID 122140489

IUPAC(2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1ccnc(Cl)c1)N1CC2(CCCO2)C1C1CC1
InChIInChI=1S/C15H17ClN2O2/c16-12-8-11(4-6-17-12)14(19)18-9-15(5-1-7-20-15)13(18)10-2-3-10/h4,6,8,10,13H,1-3,5,7,9H2
InChIKeyRKIPXCGKYMHOLJ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.52
Rot. Bonds2

About (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone

(2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 122140489) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
PubChem CID122140489
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1ccnc(Cl)c1)N1CC2(CCCO2)C1C1CC1
InChIInChI=1S/C15H17ClN2O2/c16-12-8-11(4-6-17-12)14(19)18-9-15(5-1-7-20-15)13(18)10-2-3-10/h4,6,8,10,13H,1-3,5,7,9H2
InChIKeyRKIPXCGKYMHOLJ-UHFFFAOYSA-N
XLogP2.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-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

[5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 166208477
[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 125144117
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 103857585
1-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 126804464
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 38610096
(2-chloro-4-pyridinyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 97081158
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
(2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone
CID 59265745

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone (CID 122140489) is (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone is O=C(c1ccnc(Cl)c1)N1CC2(CCCO2)C1C1CC1.
What is the InChIKey of (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone?
The InChIKey is RKIPXCGKYMHOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-8-11(4-6-17-12)14(19)18-9-15(5-1-7-20-15)13(18)10-2-3-10/h4,6,8,10,13H,1-3,5,7,9H2.
What are the key properties of (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone?
(2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 292.77 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 122140489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).