2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide

C11H16ClN3O — CID 63587654

IUPAC2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cccc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-4-15(8-11(16)14(2)3)10-7-5-6-9(12)13-10/h5-7H,4,8H2,1-3H3
InChIKeyROZUBAHVYMJNIW-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.65
Rot. Bonds4

About 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide

2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 63587654) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
PubChem CID63587654
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cccc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-4-15(8-11(16)14(2)3)10-7-5-6-9(12)13-10/h5-7H,4,8H2,1-3H3
InChIKeyROZUBAHVYMJNIW-UHFFFAOYSA-N
XLogP1.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213
2-[(2-aminopyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80809739
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 106767345
6-chloro-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
CID 63588786
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069
2-[(5-amino-6-methoxy-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 43588124
2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
CID 54948718
2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 104513608
6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
CID 66456063
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 79632500
ethyl 2-[(6-carbamothioyl-2-pyridinyl)-ethylamino]acetate
CID 64588452
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 55124740

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide (CID 63587654) is 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cccc(Cl)n1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is ROZUBAHVYMJNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-4-15(8-11(16)14(2)3)10-7-5-6-9(12)13-10/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 241.72 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 63587654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).