2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide

C12H17Cl2N3O — CID 55226569

IUPAC2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H17Cl2N3O/c1-16(2)5-4-6-17(3)12(18)9-7-10(13)15-11(14)8-9/h7-8H,4-6H2,1-3H3
InChIKeyASNOZWRYMHRKEP-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.41
Rot. Bonds5

About 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide

2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide (PubChem CID 55226569) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
PubChem CID55226569
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H17Cl2N3O/c1-16(2)5-4-6-17(3)12(18)9-7-10(13)15-11(14)8-9/h7-8H,4-6H2,1-3H3
InChIKeyASNOZWRYMHRKEP-UHFFFAOYSA-N
XLogP2.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
CID 63695366
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
CID 79390037
3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide
CID 114038503
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
N-[3-(dimethylamino)propyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63860357
2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide
CID 84580621
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
CID 62153601
N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 63701216

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide (CID 55226569) is 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide is CN(C)CCCN(C)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide?
The InChIKey is ASNOZWRYMHRKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-16(2)5-4-6-17(3)12(18)9-7-10(13)15-11(14)8-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide?
2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide has a molecular weight of 290.19 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 55226569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).