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

C11H11N3O2S — CID 63612073

IUPAC6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)c1nccs1
InChIInChI=1S/C11H11N3O2S/c1-7(11-12-4-5-17-11)14-10(16)8-2-3-9(15)13-6-8/h2-7H,1H3,(H,13,15)(H,14,16)
InChIKeyBEVIRWVLJQVNDK-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.32
Rot. Bonds3

About 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 63612073) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID63612073
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)c1nccs1
InChIInChI=1S/C11H11N3O2S/c1-7(11-12-4-5-17-11)14-10(16)8-2-3-9(15)13-6-8/h2-7H,1H3,(H,13,15)(H,14,16)
InChIKeyBEVIRWVLJQVNDK-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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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (CID 63612073) is 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)[nH]c1)c1nccs1.
What is the InChIKey of 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is BEVIRWVLJQVNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(11-12-4-5-17-11)14-10(16)8-2-3-9(15)13-6-8/h2-7H,1H3,(H,13,15)(H,14,16).
What are the key properties of 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
6-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 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 63612073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).