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

C11H16ClN3OS — CID 112664070

IUPAC3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)N(C)CCSC)n1
InChIInChI=1S/C11H16ClN3OS/c1-13-9-5-4-8(12)10(14-9)11(16)15(2)6-7-17-3/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyZROIITAFQGPVIO-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.21
Rot. Bonds5

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

3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide (PubChem CID 112664070) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
PubChem CID112664070
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)N(C)CCSC)n1
InChIInChI=1S/C11H16ClN3OS/c1-13-9-5-4-8(12)10(14-9)11(16)15(2)6-7-17-3/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyZROIITAFQGPVIO-UHFFFAOYSA-N
XLogP2.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide
CID 62154321
8-chloro-1-ethyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-7-carboxamide
CID 137490573
6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55041513
6-amino-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55041744
6-amino-3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55041800
3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042419
3-chloro-N-(2-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042607
3-chloro-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55042918
6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55052241
6-amino-3-chloro-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 55174762
3-chloro-6-(ethylamino)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 55174956
6-amino-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62153590

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide (CID 112664070) is 3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)N(C)CCSC)n1.
What is the InChIKey of 3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The InChIKey is ZROIITAFQGPVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-13-9-5-4-8(12)10(14-9)11(16)15(2)6-7-17-3/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.21, 5 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-(2-methylsulfanylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 112664070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).