(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C19H19ClN2O2 — CID 125420218

IUPAC(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(c1cccc(Cl)n1)N1CC2(CCOCC2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c20-16-8-4-7-15(21-16)18(23)22-13-19(9-11-24-12-10-19)17(22)14-5-2-1-3-6-14/h1-8,17H,9-13H2/t17-/m1/s1
InChIKeyMZXRWMNUVXXECM-QGZVFWFLSA-N
MW342.83 g/mol
LogP3.73
Rot. Bonds2

About (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 125420218) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID125420218
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(c1cccc(Cl)n1)N1CC2(CCOCC2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c20-16-8-4-7-15(21-16)18(23)22-13-19(9-11-24-12-10-19)17(22)14-5-2-1-3-6-14/h1-8,17H,9-13H2/t17-/m1/s1
InChIKeyMZXRWMNUVXXECM-QGZVFWFLSA-N
XLogP3.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile
CID 128719087
1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone
CID 128658219
[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 167948630
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714061
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
CID 128730546
[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone
CID 136565543
3-(6-chloropyridine-2-carbonyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63779841
1-(6-chloropyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 55052299
(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592936
[(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate
CID 175396178
(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone
CID 129347762

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 125420218) is (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is O=C(c1cccc(Cl)n1)N1CC2(CCOCC2)[C@H]1c1ccccc1.
What is the InChIKey of (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is MZXRWMNUVXXECM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-8-4-7-15(21-16)18(23)22-13-19(9-11-24-12-10-19)17(22)14-5-2-1-3-6-14/h1-8,17H,9-13H2/t17-/m1/s1.
What are the key properties of (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 342.83 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 125420218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).