N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide

C13H13N3OS — CID 18107225

IUPACN-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(C)n1
InChIInChI=1S/C13H13N3OS/c1-9-5-3-7-11(15-9)16-12(17)10-6-4-8-14-13(10)18-2/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQOUOHHFTSPHCRW-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.76
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide

N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 18107225) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID18107225
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(C)n1
InChIInChI=1S/C13H13N3OS/c1-9-5-3-7-11(15-9)16-12(17)10-6-4-8-14-13(10)18-2/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQOUOHHFTSPHCRW-UHFFFAOYSA-N
XLogP2.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide (CID 18107225) is N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cccc(C)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is QOUOHHFTSPHCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-5-3-7-11(15-9)16-12(17)10-6-4-8-14-13(10)18-2/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 18107225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).