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

C12H15Cl2N3O3 — CID 124698235

IUPAC(3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide
SMILESO=C(NCCOc1ncc(Cl)cc1Cl)[C@H]1COCCN1
InChIInChI=1S/C12H15Cl2N3O3/c13-8-5-9(14)12(17-6-8)20-4-2-16-11(18)10-7-19-3-1-15-10/h5-6,10,15H,1-4,7H2,(H,16,18)/t10-/m1/s1
InChIKeyPZBFFZSRTLOJMJ-SNVBAGLBSA-N
MW320.18 g/mol
LogP0.87
Rot. Bonds5

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

(3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide (PubChem CID 124698235) has the molecular formula C12H15Cl2N3O3 and a molecular weight of 320.18 g/mol. Its IUPAC name is (3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide
PubChem CID124698235
Molecular FormulaC12H15Cl2N3O3
Molecular Weight320.18 g/mol
Exact Mass319.05
IUPAC Name(3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide
SMILESO=C(NCCOc1ncc(Cl)cc1Cl)[C@H]1COCCN1
InChIInChI=1S/C12H15Cl2N3O3/c13-8-5-9(14)12(17-6-8)20-4-2-16-11(18)10-7-19-3-1-15-10/h5-6,10,15H,1-4,7H2,(H,16,18)/t10-/m1/s1
InChIKeyPZBFFZSRTLOJMJ-SNVBAGLBSA-N
XLogP0.87
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 50.87
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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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide (CID 124698235) is (3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide is O=C(NCCOc1ncc(Cl)cc1Cl)[C@H]1COCCN1.
What is the InChIKey of (3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide?
The InChIKey is PZBFFZSRTLOJMJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3/c13-8-5-9(14)12(17-6-8)20-4-2-16-11(18)10-7-19-3-1-15-10/h5-6,10,15H,1-4,7H2,(H,16,18)/t10-/m1/s1.
What are the key properties of (3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide?
(3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide has a molecular weight of 320.18 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 124698235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).