6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide

C13H14ClN3OS — CID 79487639

IUPAC6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-17(7-6-9-3-2-8-19-9)13(18)12-10(14)4-5-11(15)16-12/h2-5,8H,6-7H2,1H3,(H2,15,16)
InChIKeyKRGXIPVZEWFMCF-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.69
Rot. Bonds4

About 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide

6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 79487639) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID79487639
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-17(7-6-9-3-2-8-19-9)13(18)12-10(14)4-5-11(15)16-12/h2-5,8H,6-7H2,1H3,(H2,15,16)
InChIKeyKRGXIPVZEWFMCF-UHFFFAOYSA-N
XLogP2.69
TPSA59.22 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 ≤ 52.69
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
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
6-amino-3-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 62154422
3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62169187
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 79494822
6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide
CID 107201186
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
6-amino-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62160527
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 79476461
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 79487639) is 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide is CN(CCc1cccs1)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is KRGXIPVZEWFMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-17(7-6-9-3-2-8-19-9)13(18)12-10(14)4-5-11(15)16-12/h2-5,8H,6-7H2,1H3,(H2,15,16).
What are the key properties of 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 79487639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).