1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C17H24N4O2S — CID 134709881

IUPAC1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2c(C)cc(C)n(CC)c2=O)s1
InChIInChI=1S/C17H24N4O2S/c1-5-7-8-9-13-19-20-17(24-13)18-15(22)14-11(3)10-12(4)21(6-2)16(14)23/h10H,5-9H2,1-4H3,(H,18,20,22)
InChIKeyOZWUZZUPKJSTBM-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.32
Rot. Bonds7

About 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 134709881) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID134709881
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2c(C)cc(C)n(CC)c2=O)s1
InChIInChI=1S/C17H24N4O2S/c1-5-7-8-9-13-19-20-17(24-13)18-15(22)14-11(3)10-12(4)21(6-2)16(14)23/h10H,5-9H2,1-4H3,(H,18,20,22)
InChIKeyOZWUZZUPKJSTBM-UHFFFAOYSA-N
XLogP3.32
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 26209843
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 54687824
5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18089744
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
2-methyl-5-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55551181
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 166349724
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide
CID 30730918
N-(5-octyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166191053

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 134709881) is 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCCCCc1nnc(NC(=O)c2c(C)cc(C)n(CC)c2=O)s1.
What is the InChIKey of 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is OZWUZZUPKJSTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-5-7-8-9-13-19-20-17(24-13)18-15(22)14-11(3)10-12(4)21(6-2)16(14)23/h10H,5-9H2,1-4H3,(H,18,20,22).
What are the key properties of 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-dimethyl-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134709881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).