3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide

C13H17N5O2 — CID 64518607

IUPAC3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
SMILESO=C(CCn1ccccc1=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H17N5O2/c19-12(6-9-18-8-2-1-5-13(18)20)14-7-3-4-11-15-10-16-17-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,14,19)(H,15,16,17)
InChIKeyHEUHITJFEXYFBK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.11
Rot. Bonds7

About 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide

3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide (PubChem CID 64518607) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
PubChem CID64518607
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
SMILESO=C(CCn1ccccc1=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H17N5O2/c19-12(6-9-18-8-2-1-5-13(18)20)14-7-3-4-11-15-10-16-17-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,14,19)(H,15,16,17)
InChIKeyHEUHITJFEXYFBK-UHFFFAOYSA-N
XLogP0.11
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide 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 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
The IUPAC name of 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide (CID 64518607) is 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
The canonical SMILES for 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide is O=C(CCn1ccccc1=O)NCCCc1ncn[nH]1.
What is the InChIKey of 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
The InChIKey is HEUHITJFEXYFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-12(6-9-18-8-2-1-5-13(18)20)14-7-3-4-11-15-10-16-17-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,14,19)(H,15,16,17).
What are the key properties of 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide has a molecular weight of 275.31 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide is sourced from PubChem (CID 64518607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).