5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide

C12H9N3O3 — CID 62914339

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnoc1)c1cncc(C#CCO)c1
InChIInChI=1S/C12H9N3O3/c16-3-1-2-9-4-10(6-13-5-9)12(17)15-11-7-14-18-8-11/h4-8,16H,3H2,(H,15,17)
InChIKeyPLDKKIOPKLRACB-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.67
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide (PubChem CID 62914339) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
PubChem CID62914339
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnoc1)c1cncc(C#CCO)c1
InChIInChI=1S/C12H9N3O3/c16-3-1-2-9-4-10(6-13-5-9)12(17)15-11-7-14-18-8-11/h4-8,16H,3H2,(H,15,17)
InChIKeyPLDKKIOPKLRACB-UHFFFAOYSA-N
XLogP0.67
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589630
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide
CID 63564141
5-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 54974892
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
CID 79989757
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
N-(3-amino-3-oxopropyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54974696
N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 102807001
5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071338
N-(1,2-oxazol-4-yl)pyridine-4-carboxamide
CID 71797676
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 65245893

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide (CID 62914339) is 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide is O=C(Nc1cnoc1)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
The InChIKey is PLDKKIOPKLRACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-3-1-2-9-4-10(6-13-5-9)12(17)15-11-7-14-18-8-11/h4-8,16H,3H2,(H,15,17).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide has a molecular weight of 243.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62914339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).