4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

C11H11N3O2S — CID 103337486

IUPAC4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]ccc1=O)c1nccs1
InChIInChI=1S/C11H11N3O2S/c1-7(11-13-4-5-17-11)14-10(16)8-6-12-3-2-9(8)15/h2-7H,1H3,(H,12,15)(H,14,16)
InChIKeyDWKWVYFNOQVUEI-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.32
Rot. Bonds3

About 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 103337486) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID103337486
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]ccc1=O)c1nccs1
InChIInChI=1S/C11H11N3O2S/c1-7(11-13-4-5-17-11)14-10(16)8-6-12-3-2-9(8)15/h2-7H,1H3,(H,12,15)(H,14,16)
InChIKeyDWKWVYFNOQVUEI-UHFFFAOYSA-N
XLogP1.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2,4-dioxo-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 100195309
1-cyclopropyl-N,6-dimethyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 128406769
1-(cyclohexylmethyl)-N'-isopropyl-N-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1,4-dihydro-3,5-pyridinedicarboxamide
CID 45929900
N,N-dimethyl-5-[[1-methyl-2,5-dioxo-4-[1-(1,3-thiazol-2-yl)propylamino]pyrrol-3-yl]amino]-4-oxo-1H-pyridine-3-carboxamide
CID 20795798
2,2-dimethyl-N-[[6-methyl-4-oxo-2-(1,3-thiazol-2-yl)-1H-pyridin-3-yl]methyl]propanamide
CID 118544297
N-[[6-methyl-4-oxo-2-(1,3-thiazol-2-yl)-1H-pyridin-3-yl]methyl]acetamide
CID 118544403
N-[[6-methyl-4-oxo-2-(1,3-thiazol-2-yl)-1H-pyridin-3-yl]methyl]carbamoyl iodide
CID 132022171
2-[[1-(1,3-Thiazol-2-yl)ethylamino]methylidene]pentanamide
CID 141425354
ethane;N-[[6-methyl-4-oxo-2-(1,3-thiazol-2-yl)-1H-pyridin-3-yl]methyl]acetamide
CID 144654887
6-methyl-4-oxo-5-(1,3-thiazol-2-yl)-1H-pyridine-3-carboxamide
CID 175841842
1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide
CID 26363299
1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide
CID 26363301

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (CID 103337486) is 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is CC(NC(=O)c1c[nH]ccc1=O)c1nccs1.
What is the InChIKey of 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is DWKWVYFNOQVUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(11-13-4-5-17-11)14-10(16)8-6-12-3-2-9(8)15/h2-7H,1H3,(H,12,15)(H,14,16).
What are the key properties of 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).