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

C12H10Cl2N2OS — CID 113227301

IUPAC2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-16(6-8-4-5-18-7-8)12(17)9-2-3-10(13)15-11(9)14/h2-5,7H,6H2,1H3
InChIKeyHSOXSUQDASKURP-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.72
Rot. Bonds3

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

2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 113227301) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
PubChem CID113227301
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-16(6-8-4-5-18-7-8)12(17)9-2-3-10(13)15-11(9)14/h2-5,7H,6H2,1H3
InChIKeyHSOXSUQDASKURP-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

2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 62241591
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 106993631
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18163513
2-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 43396643
6-amino-N-methyl-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 62155302
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62167817
3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113386383

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (CID 113227301) is 2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is CN(Cc1ccsc1)C(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HSOXSUQDASKURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-16(6-8-4-5-18-7-8)12(17)9-2-3-10(13)15-11(9)14/h2-5,7H,6H2,1H3.
What are the key properties of 2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-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 2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 113227301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).