2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide

C15H23N3O3S — CID 167261164

IUPAC2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSCC(=O)NCCn1cccc(C)c1=O
InChIInChI=1S/C15H23N3O3S/c1-3-6-16-13(19)10-22-11-14(20)17-7-9-18-8-4-5-12(2)15(18)21/h4-5,8H,3,6-7,9-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXCNKDFTULLPFNG-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.53
Rot. Bonds9

About 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide

2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide (PubChem CID 167261164) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide
PubChem CID167261164
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSCC(=O)NCCn1cccc(C)c1=O
InChIInChI=1S/C15H23N3O3S/c1-3-6-16-13(19)10-22-11-14(20)17-7-9-18-8-4-5-12(2)15(18)21/h4-5,8H,3,6-7,9-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXCNKDFTULLPFNG-UHFFFAOYSA-N
XLogP0.53
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide (CID 167261164) is 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide is CCCNC(=O)CSCC(=O)NCCn1cccc(C)c1=O.
What is the InChIKey of 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide?
The InChIKey is XCNKDFTULLPFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-6-16-13(19)10-22-11-14(20)17-7-9-18-8-4-5-12(2)15(18)21/h4-5,8H,3,6-7,9-11H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide?
2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide has a molecular weight of 325.43 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 167261164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).