5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide

C12H17Cl2N3O — CID 63695366

IUPAC5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O/c1-16(2)5-4-6-17(3)12(18)9-7-10(13)11(14)15-8-9/h7-8H,4-6H2,1-3H3
InChIKeyTUTQYESUMZAOJI-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.41
Rot. Bonds5

About 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide

5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide (PubChem CID 63695366) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
PubChem CID63695366
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O/c1-16(2)5-4-6-17(3)12(18)9-7-10(13)11(14)15-8-9/h7-8H,4-6H2,1-3H3
InChIKeyTUTQYESUMZAOJI-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'}

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Related Compounds

4-[(5,6-dichloropyridine-3-carbonyl)-methylamino]butanoic acid
CID 43240294
methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 55030990
5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243474
2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
CID 55226569
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
N-[3-(dimethylamino)propyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63860357
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60742567

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide (CID 63695366) is 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide is CN(C)CCCN(C)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide?
The InChIKey is TUTQYESUMZAOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-16(2)5-4-6-17(3)12(18)9-7-10(13)11(14)15-8-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide?
5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-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 5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63695366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).