4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide

C11H15ClN2O2 — CID 65101759

IUPAC4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1cccnc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(2)10(15)6-4-8-16-9-5-3-7-13-11(9)12/h3,5,7H,4,6,8H2,1-2H3
InChIKeyAELYCPYERVTLLE-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.98
Rot. Bonds5

About 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide

4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide (PubChem CID 65101759) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide
PubChem CID65101759
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1cccnc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(2)10(15)6-4-8-16-9-5-3-7-13-11(9)12/h3,5,7H,4,6,8H2,1-2H3
InChIKeyAELYCPYERVTLLE-UHFFFAOYSA-N
XLogP1.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide
CID 175634824
2-chloro-6-[4-(dimethylamino)-4-oxobutoxy]benzoic acid
CID 113276802
(2-chloro-3-pyridinyl) 4-ethoxybutanoate
CID 71930736
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958
2-chloro-3-(2-fluoroethoxy)pyridine
CID 79035180
2-chloro-3-(4-methylpentoxy)pyridine
CID 83157028
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide
CID 55189164
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide
CID 62100009
[4-(dimethylamino)-4-oxobutyl] 2-amino-6-ethoxybenzoate
CID 81394218

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide (CID 65101759) is 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide is CN(C)C(=O)CCCOc1cccnc1Cl.
What is the InChIKey of 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide?
The InChIKey is AELYCPYERVTLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(2)10(15)6-4-8-16-9-5-3-7-13-11(9)12/h3,5,7H,4,6,8H2,1-2H3.
What are the key properties of 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide?
4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide has a molecular weight of 242.71 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 65101759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).