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

C11H15ClN2OS — CID 112692061

IUPAC6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2OS/c1-8(7-16-3)14(2)11(15)9-5-4-6-10(12)13-9/h4-6,8H,7H2,1-3H3
InChIKeyRHRFGWDRWLRIKG-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.56
Rot. Bonds4

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

6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 112692061) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
PubChem CID112692061
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2OS/c1-8(7-16-3)14(2)11(15)9-5-4-6-10(12)13-9/h4-6,8H,7H2,1-3H3
InChIKeyRHRFGWDRWLRIKG-UHFFFAOYSA-N
XLogP2.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.56
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-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63224800
6-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664427
N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 112664197
6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664231
6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 115902016
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113304887
N-(1-aminopropan-2-yl)-N,6-dimethylpyridine-2-carboxamide
CID 82507394
2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 112692132
(E)-3-[6-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 115987037
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692105
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide (CID 112692061) is 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide is CSCC(C)N(C)C(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is RHRFGWDRWLRIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-8(7-16-3)14(2)11(15)9-5-4-6-10(12)13-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.56, 4 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-methylsulfanylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 112692061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).