N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide

C13H19N3O3S — CID 166506276

IUPACN-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCNC(=O)CSCC(=O)NCCn1c(C)cccc1=O
InChIInChI=1S/C13H19N3O3S/c1-10-4-3-5-13(19)16(10)7-6-15-12(18)9-20-8-11(17)14-2/h3-5H,6-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyMKCGZUHZAKZCCQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.25
Rot. Bonds7

About N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide

N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 166506276) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID166506276
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCNC(=O)CSCC(=O)NCCn1c(C)cccc1=O
InChIInChI=1S/C13H19N3O3S/c1-10-4-3-5-13(19)16(10)7-6-15-12(18)9-20-8-11(17)14-2/h3-5H,6-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyMKCGZUHZAKZCCQ-UHFFFAOYSA-N
XLogP-0.25
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide (CID 166506276) is N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide is CNC(=O)CSCC(=O)NCCn1c(C)cccc1=O.
What is the InChIKey of N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is MKCGZUHZAKZCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10-4-3-5-13(19)16(10)7-6-15-12(18)9-20-8-11(17)14-2/h3-5H,6-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide?
N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 297.38 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-(2-methyl-6-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 166506276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).