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

C10H13Cl2N3O2 — CID 119900842

IUPAC2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
SMILESCC(N)C(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3O2/c1-6(13)9(16)14-2-3-17-10-8(12)4-7(11)5-15-10/h4-6H,2-3,13H2,1H3,(H,14,16)
InChIKeyNPCKIBBYWBFHGR-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.23
Rot. Bonds5

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

2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide (PubChem CID 119900842) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
PubChem CID119900842
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
SMILESCC(N)C(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3O2/c1-6(13)9(16)14-2-3-17-10-8(12)4-7(11)5-15-10/h4-6H,2-3,13H2,1H3,(H,14,16)
InChIKeyNPCKIBBYWBFHGR-UHFFFAOYSA-N
XLogP1.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

2-[4-[(3,5-Dichloro-2-pyridinyl)oxy]phenoxy]propanamide
CID 53896407
US11045457, Example 45
CID 146402045
US11045457, Example 38
CID 146401882
US11045457, Example 48
CID 146402246
US11045457, Example 82
CID 146402255
Ethanethiol, 2-(5-(3,5-dichloro-2-pyridyloxy)pentyl)amino-, hydrochloride
CID 218795
5-Chloro-6-(propan-2-yloxy)pyridin-3-amine
CID 19890818
2-((3,5-Dichloropyridin-2-yl)oxy)ethan-1-amine hydrochloride
CID 71756220
2-[[1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 71911811
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyridin-4-ylpropanamide
CID 75381639
2-[[1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-yl]amino]-N-cyclohexylacetamide
CID 75390545
Ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate
CID 12942999

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide (CID 119900842) is 2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide is CC(N)C(=O)NCCOc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
The InChIKey is NPCKIBBYWBFHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-6(13)9(16)14-2-3-17-10-8(12)4-7(11)5-15-10/h4-6H,2-3,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide has a molecular weight of 278.14 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide is sourced from PubChem (CID 119900842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).