5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide

C11H8N4O2 — CID 113355793

IUPAC5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2ccno2)nc1
InChIInChI=1S/C11H8N4O2/c12-5-8-1-2-10(13-6-8)11(16)14-7-9-3-4-15-17-9/h1-4,6H,7H2,(H,14,16)
InChIKeyUGFVJVHZSUOSEM-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.87
Rot. Bonds3

About 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide

5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 113355793) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID113355793
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2ccno2)nc1
InChIInChI=1S/C11H8N4O2/c12-5-8-1-2-10(13-6-8)11(16)14-7-9-3-4-15-17-9/h1-4,6H,7H2,(H,14,16)
InChIKeyUGFVJVHZSUOSEM-UHFFFAOYSA-N
XLogP0.87
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 114186827
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 103775088
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide
CID 106423177
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide (CID 113355793) is 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide is N#Cc1ccc(C(=O)NCc2ccno2)nc1.
What is the InChIKey of 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is UGFVJVHZSUOSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-5-8-1-2-10(13-6-8)11(16)14-7-9-3-4-15-17-9/h1-4,6H,7H2,(H,14,16).
What are the key properties of 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide?
5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 228.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 113355793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).