3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide

C10H13Cl2N3O2 — CID 119900876

IUPAC3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
SMILESNCCC(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3O2/c11-7-5-8(12)10(15-6-7)17-4-3-14-9(16)1-2-13/h5-6H,1-4,13H2,(H,14,16)
InChIKeyLOSATQJXQOSNAS-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.23
Rot. Bonds6

About 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide

3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide (PubChem CID 119900876) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
PubChem CID119900876
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
SMILESNCCC(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3O2/c11-7-5-8(12)10(15-6-7)17-4-3-14-9(16)1-2-13/h5-6H,1-4,13H2,(H,14,16)
InChIKeyLOSATQJXQOSNAS-UHFFFAOYSA-N
XLogP1.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 120613513
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(2-hydroxyphenyl)acetamide
CID 71917205
2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900842
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide
CID 71917382
4-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]butanamide;dihydrochloride
CID 119893797
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
CID 75381423
7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride
CID 119900741
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide
CID 119900852
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide;dihydrochloride
CID 119900851
(2S,5R)-5-(aminomethyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]oxolane-2-carboxamide
CID 120801562
2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride
CID 119893779
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
CID 74766847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide (CID 119900876) is 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide is NCCC(=O)NCCOc1ncc(Cl)cc1Cl.
What is the InChIKey of 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
The InChIKey is LOSATQJXQOSNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c11-7-5-8(12)10(15-6-7)17-4-3-14-9(16)1-2-13/h5-6H,1-4,13H2,(H,14,16).
What are the key properties of 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide has a molecular weight of 278.14 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide is sourced from PubChem (CID 119900876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).