N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide

C13H13N3OS — CID 2803820

IUPACN-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccnc(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C13H13N3OS/c1-10-5-7-14-11(8-10)16-12(17)9-18-13-4-2-3-6-15-13/h2-8H,9H2,1H3,(H,14,16,17)
InChIKeyADSOGGRBDHCSEE-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.52
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide

N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2803820) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID2803820
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccnc(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C13H13N3OS/c1-10-5-7-14-11(8-10)16-12(17)9-18-13-4-2-3-6-15-13/h2-8H,9H2,1H3,(H,14,16,17)
InChIKeyADSOGGRBDHCSEE-UHFFFAOYSA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide (CID 2803820) is N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide is Cc1ccnc(NC(=O)CSc2ccccn2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is ADSOGGRBDHCSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-10-5-7-14-11(8-10)16-12(17)9-18-13-4-2-3-6-15-13/h2-8H,9H2,1H3,(H,14,16,17).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 259.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2803820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).