5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide

C13H12N4O2 — CID 106422423

IUPAC5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
SMILESNCC#Cc1cncc(C(=O)NCc2ccno2)c1
InChIInChI=1S/C13H12N4O2/c14-4-1-2-10-6-11(8-15-7-10)13(18)16-9-12-3-5-17-19-12/h3,5-8H,4,9,14H2,(H,16,18)
InChIKeyPFDHTMVMKLXTQF-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.31
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 106422423) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID106422423
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
SMILESNCC#Cc1cncc(C(=O)NCc2ccno2)c1
InChIInChI=1S/C13H12N4O2/c14-4-1-2-10-6-11(8-15-7-10)13(18)16-9-12-3-5-17-19-12/h3,5-8H,4,9,14H2,(H,16,18)
InChIKeyPFDHTMVMKLXTQF-UHFFFAOYSA-N
XLogP0.31
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide (CID 106422423) is 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide is NCC#Cc1cncc(C(=O)NCc2ccno2)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PFDHTMVMKLXTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-4-1-2-10-6-11(8-15-7-10)13(18)16-9-12-3-5-17-19-12/h3,5-8H,4,9,14H2,(H,16,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106422423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).