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

C12H18ClN3O2 — CID 120504371

IUPAC3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCOc1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O2/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)
InChIKeyUCZGXZLHCHTGRN-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.21
Rot. Bonds6

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

3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide (PubChem CID 120504371) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
PubChem CID120504371
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCOc1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O2/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)
InChIKeyUCZGXZLHCHTGRN-UHFFFAOYSA-N
XLogP1.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.21
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;dihydrochloride
CID 120504370
(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
CID 120597523
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride
CID 120597522
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
7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride
CID 119900741
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876783
3-amino-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylbutanamide;hydrochloride
CID 120500595
2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900842
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 115697129

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide (CID 120504371) is 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide is CC(N)C(C)C(=O)NCCOc1ccc(Cl)cn1.
What is the InChIKey of 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide?
The InChIKey is UCZGXZLHCHTGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/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).
What are the key properties of 3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide?
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide has a molecular weight of 271.75 g/mol, XLogP of 1.21, 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 is sourced from PubChem (CID 120504371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).