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

C12H10Cl2N2OS — CID 43395968

IUPAC3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-16(7-8-3-2-6-18-8)12(17)11-9(13)4-5-10(14)15-11/h2-6H,7H2,1H3
InChIKeyFYFQTQBEKZTOEM-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.72
Rot. Bonds3

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

3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 43395968) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID43395968
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-16(7-8-3-2-6-18-8)12(17)11-9(13)4-5-10(14)15-11/h2-6H,7H2,1H3
InChIKeyFYFQTQBEKZTOEM-UHFFFAOYSA-N
XLogP3.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.72
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

3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62169187
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 79487639
3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 60794885
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 35359994
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 35136218
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 18208948
5-chloro-N-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 103601880
3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
3,6-dichloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 78780702
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 43395968) is 3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is CN(Cc1cccs1)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FYFQTQBEKZTOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-16(7-8-3-2-6-18-8)12(17)11-9(13)4-5-10(14)15-11/h2-6H,7H2,1H3.
What are the key properties of 3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 301.20 g/mol, XLogP of 3.72, 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-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 43395968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).