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

C12H20Cl3N3O3 — CID 120597522

IUPAC4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCCOc1ccc(Cl)cn1.Cl.Cl
InChIInChI=1S/C12H18ClN3O3.2ClH/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);2*1H
InChIKeyYSYAVQYSSDCTGX-UHFFFAOYSA-N
MW360.67 g/mol
LogP1.44
Rot. Bonds8

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

4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120597522) has the molecular formula C12H20Cl3N3O3 and a molecular weight of 360.67 g/mol. Its IUPAC name is 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120597522
Molecular FormulaC12H20Cl3N3O3
Molecular Weight360.67 g/mol
Exact Mass359.06
IUPAC Name4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCCOc1ccc(Cl)cn1.Cl.Cl
InChIInChI=1S/C12H18ClN3O3.2ClH/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);2*1H
InChIKeyYSYAVQYSSDCTGX-UHFFFAOYSA-N
XLogP1.44
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.67
LogP ≤ 51.44
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
CID 120597523
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;dihydrochloride
CID 120504370
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120589848
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
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
2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropanamide
CID 119900750
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;dihydrochloride?
The IUPAC name of 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride (CID 120597522) is 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride is COC(CN)CC(=O)NCCOc1ccc(Cl)cn1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is YSYAVQYSSDCTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3.2ClH/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);2*1H.
What are the key properties of 4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 360.67 g/mol, XLogP of 1.44, 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;dihydrochloride is sourced from PubChem (CID 120597522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).