3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide

C11H16ClN3O — CID 115678460

IUPAC3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ccc(Cl)nc1
InChIInChI=1S/C11H16ClN3O/c1-15(2)11(16)5-6-13-7-9-3-4-10(12)14-8-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyAZLSUDBCHSOSCJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.30
Rot. Bonds5

About 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide

3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 115678460) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
PubChem CID115678460
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ccc(Cl)nc1
InChIInChI=1S/C11H16ClN3O/c1-15(2)11(16)5-6-13-7-9-3-4-10(12)14-8-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyAZLSUDBCHSOSCJ-UHFFFAOYSA-N
XLogP1.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.30
H-Bond Donors ≤ 51
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

3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115683654
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099
N-[(6-chloro-3-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 115683638
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)methylamino]acetamide
CID 62995684
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
CID 104588324
3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 104796849
N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 54935244
3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 62989370
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55219703

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide (CID 115678460) is 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNCc1ccc(Cl)nc1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is AZLSUDBCHSOSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15(2)11(16)5-6-13-7-9-3-4-10(12)14-8-9/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide?
3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 115678460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).