7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride

C14H24Cl3N3O2 — CID 119900741

IUPAC7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCOc1ccc(Cl)cn1
InChIInChI=1S/C14H22ClN3O2.2ClH/c15-12-6-7-14(18-11-12)20-10-9-17-13(19)5-3-1-2-4-8-16;;/h6-7,11H,1-5,8-10,16H2,(H,17,19);2*1H
InChIKeyDKTJJAUGOAAUJW-UHFFFAOYSA-N
MW372.72 g/mol
LogP2.98
Rot. Bonds10

About 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride

7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride (PubChem CID 119900741) has the molecular formula C14H24Cl3N3O2 and a molecular weight of 372.72 g/mol. Its IUPAC name is 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride
PubChem CID119900741
Molecular FormulaC14H24Cl3N3O2
Molecular Weight372.72 g/mol
Exact Mass371.09
IUPAC Name7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCOc1ccc(Cl)cn1
InChIInChI=1S/C14H22ClN3O2.2ClH/c15-12-6-7-14(18-11-12)20-10-9-17-13(19)5-3-1-2-4-8-16;;/h6-7,11H,1-5,8-10,16H2,(H,17,19);2*1H
InChIKeyDKTJJAUGOAAUJW-UHFFFAOYSA-N
XLogP2.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 52.98
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

4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride
CID 120597522
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide
CID 120597523
3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900876
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
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
4-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]butanamide;dihydrochloride
CID 119893797
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
CID 119757498
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride (CID 119900741) is 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)NCCOc1ccc(Cl)cn1.
What is the InChIKey of 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride?
The InChIKey is DKTJJAUGOAAUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2.2ClH/c15-12-6-7-14(18-11-12)20-10-9-17-13(19)5-3-1-2-4-8-16;;/h6-7,11H,1-5,8-10,16H2,(H,17,19);2*1H.
What are the key properties of 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride?
7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride has a molecular weight of 372.72 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119900741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).