N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide

C9H12N2OS — CID 2799882

IUPACN,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N(C)C
InChIInChI=1S/C9H12N2OS/c1-11(2)9(12)7-5-4-6-10-8(7)13-3/h4-6H,1-3H3
InChIKeyKORZBTDVYBSAMM-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.51
Rot. Bonds2

About N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide

N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2799882) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2799882
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC NameN,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N(C)C
InChIInChI=1S/C9H12N2OS/c1-11(2)9(12)7-5-4-6-10-8(7)13-3/h4-6H,1-3H3
InChIKeyKORZBTDVYBSAMM-UHFFFAOYSA-N
XLogP1.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide (CID 2799882) is N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is KORZBTDVYBSAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-11(2)9(12)7-5-4-6-10-8(7)13-3/h4-6H,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide?
N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 196.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2799882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).