6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide

C12H17ClN2OS — CID 112551556

IUPAC6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2OS/c1-4-10(8-17-3)15(2)12(16)9-5-6-11(13)14-7-9/h5-7,10H,4,8H2,1-3H3
InChIKeyJKNYSSHLUZELMJ-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.95
Rot. Bonds5

About 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide

6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 112551556) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
PubChem CID112551556
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2OS/c1-4-10(8-17-3)15(2)12(16)9-5-6-11(13)14-7-9/h5-7,10H,4,8H2,1-3H3
InChIKeyJKNYSSHLUZELMJ-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 112663249
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112551650
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103909933
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
6-(ethylamino)-N-methyl-N-pentan-3-ylpyridine-3-carboxamide
CID 55046782

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide (CID 112551556) is 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide is CCC(CSC)N(C)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is JKNYSSHLUZELMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-4-10(8-17-3)15(2)12(16)9-5-6-11(13)14-7-9/h5-7,10H,4,8H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 112551556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).