4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide

C12H18ClN3O3 — CID 120597523

IUPAC4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCOc1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O3/c1-18-10(7-14)6-11(17)15-4-5-19-12-3-2-9(13)8-16-12/h2-3,8,10H,4-7,14H2,1H3,(H,15,17)
InChIKeyXVDZEIJTBUZITP-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.59
Rot. Bonds8

About 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide

4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide (PubChem CID 120597523) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide
PubChem CID120597523
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCOc1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O3/c1-18-10(7-14)6-11(17)15-4-5-19-12-3-2-9(13)8-16-12/h2-3,8,10H,4-7,14H2,1H3,(H,15,17)
InChIKeyXVDZEIJTBUZITP-UHFFFAOYSA-N
XLogP0.59
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.59
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

4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride
CID 120597522
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride
CID 119900741
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504370
2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropanamide
CID 119900750
4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120589848
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900787
(2S)-2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-methylpentanamide;dihydrochloride
CID 119900805
4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride
CID 120589465
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
CID 120588902

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide (CID 120597523) is 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide is COC(CN)CC(=O)NCCOc1ccc(Cl)cn1.
What is the InChIKey of 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide?
The InChIKey is XVDZEIJTBUZITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-18-10(7-14)6-11(17)15-4-5-19-12-3-2-9(13)8-16-12/h2-3,8,10H,4-7,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide?
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide has a molecular weight of 287.75 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide is sourced from PubChem (CID 120597523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).