3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

C13H14ClN3OS — CID 62169187

IUPAC3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)N(C)Cc2cccs2)n1
InChIInChI=1S/C13H14ClN3OS/c1-15-11-6-5-10(14)12(16-11)13(18)17(2)8-9-4-3-7-19-9/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyLGXUXGGNVZMOKH-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.11
Rot. Bonds4

About 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 62169187) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID62169187
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)N(C)Cc2cccs2)n1
InChIInChI=1S/C13H14ClN3OS/c1-15-11-6-5-10(14)12(16-11)13(18)17(2)8-9-4-3-7-19-9/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyLGXUXGGNVZMOKH-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 79487639
3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 112664070
3-chloro-N,N-diethyl-6-(methylamino)pyridine-2-carboxamide
CID 62173042
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196
3-chloro-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62241888
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-chloro-N-methyl-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 55046771
3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 62169187) is 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)N(C)Cc2cccs2)n1.
What is the InChIKey of 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is LGXUXGGNVZMOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-15-11-6-5-10(14)12(16-11)13(18)17(2)8-9-4-3-7-19-9/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62169187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).