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

C12H20Cl3N3O2 — CID 120504370

IUPAC3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCOc1ccc(Cl)cn1.Cl.Cl
InChIInChI=1S/C12H18ClN3O2.2ClH/c1-8(9(2)14)12(17)15-5-6-18-11-4-3-10(13)7-16-11;;/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,17);2*1H
InChIKeyYKKPUYAGYZKHAM-UHFFFAOYSA-N
MW344.67 g/mol
LogP2.06
Rot. Bonds6

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

3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120504370) has the molecular formula C12H20Cl3N3O2 and a molecular weight of 344.67 g/mol. Its IUPAC name is 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
PubChem CID120504370
Molecular FormulaC12H20Cl3N3O2
Molecular Weight344.67 g/mol
Exact Mass343.06
IUPAC Name3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCOc1ccc(Cl)cn1.Cl.Cl
InChIInChI=1S/C12H18ClN3O2.2ClH/c1-8(9(2)14)12(17)15-5-6-18-11-4-3-10(13)7-16-11;;/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,17);2*1H
InChIKeyYKKPUYAGYZKHAM-UHFFFAOYSA-N
XLogP2.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.67
LogP ≤ 52.06
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-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
(2S)-2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-methylpentanamide;dihydrochloride
CID 119900805
2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropanamide
CID 119900750
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride
CID 120597522
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-(3,4-difluorophenoxy)ethyl]-2-methylbutanamide;hydrochloride
CID 120500595
3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
CID 120503351
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide
CID 129392827
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876783
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900787
2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900842

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride (CID 120504370) is 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)NCCOc1ccc(Cl)cn1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is YKKPUYAGYZKHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2.2ClH/c1-8(9(2)14)12(17)15-5-6-18-11-4-3-10(13)7-16-11;;/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 344.67 g/mol, XLogP of 2.06, 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-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120504370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).