3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide

C11H16ClN3OS — CID 113473020

IUPAC3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC(C)CSC)n1
InChIInChI=1S/C11H16ClN3OS/c1-7(6-17-3)14-11(16)10-8(12)4-5-9(13-2)15-10/h4-5,7H,6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeySNORRZCMZKLYJK-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.26
Rot. Bonds5

About 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide

3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 113473020) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
PubChem CID113473020
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC(C)CSC)n1
InChIInChI=1S/C11H16ClN3OS/c1-7(6-17-3)14-11(16)10-8(12)4-5-9(13-2)15-10/h4-5,7H,6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeySNORRZCMZKLYJK-UHFFFAOYSA-N
XLogP2.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 55047188
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62178273
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62175178
3-chloro-6-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-2-carboxamide
CID 63925355
6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113478192
N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
CID 62200974
3-chloro-N-methyl-6-(methylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 112664070
3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050247
3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 54968177
5-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyrazine-2-carboxamide
CID 107376850

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide (CID 113473020) is 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NC(C)CSC)n1.
What is the InChIKey of 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is SNORRZCMZKLYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-7(6-17-3)14-11(16)10-8(12)4-5-9(13-2)15-10/h4-5,7H,6H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113473020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).