5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide

C14H14N4O3 — CID 106422282

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1nc(CCNC(=O)c2cncc(C#CCO)c2)no1
InChIInChI=1S/C14H14N4O3/c1-10-17-13(18-21-10)4-5-16-14(20)12-7-11(3-2-6-19)8-15-9-12/h7-9,19H,4-6H2,1H3,(H,16,20)
InChIKeyMYGQREONFJJRMG-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.09
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 106422282) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID106422282
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1nc(CCNC(=O)c2cncc(C#CCO)c2)no1
InChIInChI=1S/C14H14N4O3/c1-10-17-13(18-21-10)4-5-16-14(20)12-7-11(3-2-6-19)8-15-9-12/h7-9,19H,4-6H2,1H3,(H,16,20)
InChIKeyMYGQREONFJJRMG-UHFFFAOYSA-N
XLogP0.09
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide (CID 106422282) is 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide is Cc1nc(CCNC(=O)c2cncc(C#CCO)c2)no1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is MYGQREONFJJRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-10-17-13(18-21-10)4-5-16-14(20)12-7-11(3-2-6-19)8-15-9-12/h7-9,19H,4-6H2,1H3,(H,16,20).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 106422282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).