6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide

C12H13N3O3 — CID 138012540

IUPAC6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide
SMILESCC(C)c1oncc1NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H13N3O3/c1-7(2)11-9(6-13-18-11)15-12(17)8-4-3-5-10(16)14-8/h3-7H,1-2H3,(H,14,16)(H,15,17)
InChIKeyDMHIIZXRADUQSM-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.74
Rot. Bonds3

About 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide

6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide (PubChem CID 138012540) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide
PubChem CID138012540
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide
SMILESCC(C)c1oncc1NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H13N3O3/c1-7(2)11-9(6-13-18-11)15-12(17)8-4-3-5-10(16)14-8/h3-7H,1-2H3,(H,14,16)(H,15,17)
InChIKeyDMHIIZXRADUQSM-UHFFFAOYSA-N
XLogP1.74
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide (CID 138012540) is 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide is CC(C)c1oncc1NC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide?
The InChIKey is DMHIIZXRADUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7(2)11-9(6-13-18-11)15-12(17)8-4-3-5-10(16)14-8/h3-7H,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide?
6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(5-propan-2-yl-1,2-oxazol-4-yl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 138012540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).