2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

C12H10Cl2N2OS — CID 55021338

IUPAC2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)s1
InChIInChI=1S/C12H10Cl2N2OS/c1-7-2-3-9(18-7)6-15-12(17)8-4-10(13)16-11(14)5-8/h2-5H,6H2,1H3,(H,15,17)
InChIKeyDVJSVARQPBLKGW-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.69
Rot. Bonds3

About 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 55021338) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
PubChem CID55021338
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)s1
InChIInChI=1S/C12H10Cl2N2OS/c1-7-2-3-9(18-7)6-15-12(17)8-4-10(13)16-11(14)5-8/h2-5H,6H2,1H3,(H,15,17)
InChIKeyDVJSVARQPBLKGW-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
CID 114038484
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 55258652
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-3,5-dinitrobenzamide
CID 87004200
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47450227

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (CID 55021338) is 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)s1.
What is the InChIKey of 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is DVJSVARQPBLKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-7-2-3-9(18-7)6-15-12(17)8-4-10(13)16-11(14)5-8/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 301.20 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 55021338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).