2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide

C11H15Cl2N3O — CID 55226373

IUPAC2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H15Cl2N3O/c1-15(2)4-5-16(3)11(17)8-6-9(12)14-10(13)7-8/h6-7H,4-5H2,1-3H3
InChIKeyQTTQALSTDJMZSS-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.02
Rot. Bonds4

About 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide

2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide (PubChem CID 55226373) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
PubChem CID55226373
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H15Cl2N3O/c1-15(2)4-5-16(3)11(17)8-6-9(12)14-10(13)7-8/h6-7H,4-5H2,1-3H3
InChIKeyQTTQALSTDJMZSS-UHFFFAOYSA-N
XLogP2.02
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.02
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-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
CID 55226569
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
CID 79390037
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 175903314
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide
CID 84580621
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
CID 62153601
N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 43090789
2-chloro-N-(2-cyanoethyl)-6-ethyl-N-methylpyridine-4-carboxamide
CID 113379723

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide (CID 55226373) is 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide is CN(C)CCN(C)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is QTTQALSTDJMZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-15(2)4-5-16(3)11(17)8-6-9(12)14-10(13)7-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide?
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 276.17 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 55226373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).