3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide

C13H12Cl2N2OS — CID 42923047

IUPAC3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H12Cl2N2OS/c1-8(10-4-3-7-19-10)17(2)13(18)12-9(14)5-6-11(15)16-12/h3-8H,1-2H3
InChIKeyMOKWYBHBROYDJU-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.28
Rot. Bonds3

About 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide

3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 42923047) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID42923047
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H12Cl2N2OS/c1-8(10-4-3-7-19-10)17(2)13(18)12-9(14)5-6-11(15)16-12/h3-8H,1-2H3
InChIKeyMOKWYBHBROYDJU-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-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

3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 60736835
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide
CID 95034090
6-amino-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980332
4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 65354170
2-(4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 42923069
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55052175
2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61109023

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 42923047) is 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is CC(c1cccs1)N(C)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is MOKWYBHBROYDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-8(10-4-3-7-19-10)17(2)13(18)12-9(14)5-6-11(15)16-12/h3-8H,1-2H3.
What are the key properties of 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 315.23 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 42923047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).