1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide

C12H18N2O2S — CID 77095881

IUPAC1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCCCSC)cc1=O
InChIInChI=1S/C12H18N2O2S/c1-3-14-7-5-10(9-11(14)15)12(16)13-6-4-8-17-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,16)
InChIKeyXEROVIUNZXJZDV-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.35
Rot. Bonds6

About 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide

1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide (PubChem CID 77095881) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
PubChem CID77095881
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCCCSC)cc1=O
InChIInChI=1S/C12H18N2O2S/c1-3-14-7-5-10(9-11(14)15)12(16)13-6-4-8-17-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,16)
InChIKeyXEROVIUNZXJZDV-UHFFFAOYSA-N
XLogP1.35
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide (CID 77095881) is 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide is CCn1ccc(C(=O)NCCCSC)cc1=O.
What is the InChIKey of 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide?
The InChIKey is XEROVIUNZXJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-14-7-5-10(9-11(14)15)12(16)13-6-4-8-17-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,16).
What are the key properties of 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide?
1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 77095881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).