(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide

C13H17Cl2N3O3 — CID 120942859

IUPAC(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N3O3/c1-8-11(16-2-4-20-8)12(19)17-3-5-21-13-10(15)6-9(14)7-18-13/h6-8,11,16H,2-5H2,1H3,(H,17,19)/t8-,11+/m1/s1
InChIKeyJEWOSQFACTVGNO-KCJUWKMLSA-N
MW334.20 g/mol
LogP1.26
Rot. Bonds5

About (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120942859) has the molecular formula C13H17Cl2N3O3 and a molecular weight of 334.20 g/mol. Its IUPAC name is (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120942859
Molecular FormulaC13H17Cl2N3O3
Molecular Weight334.20 g/mol
Exact Mass333.06
IUPAC Name(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N3O3/c1-8-11(16-2-4-20-8)12(19)17-3-5-21-13-10(15)6-9(14)7-18-13/h6-8,11,16H,2-5H2,1H3,(H,17,19)/t8-,11+/m1/s1
InChIKeyJEWOSQFACTVGNO-KCJUWKMLSA-N
XLogP1.26
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide
CID 124698235
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919449
(2R,3S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120926955
(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120925919
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride
CID 119900807
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[2-(cyclopropylmethoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928483
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2S,5R)-5-(aminomethyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]oxolane-2-carboxamide
CID 120801562

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide (CID 120942859) is (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCOc1ncc(Cl)cc1Cl.
What is the InChIKey of (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is JEWOSQFACTVGNO-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H17Cl2N3O3/c1-8-11(16-2-4-20-8)12(19)17-3-5-21-13-10(15)6-9(14)7-18-13/h6-8,11,16H,2-5H2,1H3,(H,17,19)/t8-,11+/m1/s1.
What are the key properties of (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 334.20 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120942859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).