4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

C17H15N5O3 — CID 51233758

IUPAC4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C17H15N5O3/c18-16(24)11-3-5-13(6-4-11)20-14(23)7-8-15-21-17(22-25-15)12-2-1-9-19-10-12/h1-6,9-10H,7-8H2,(H2,18,24)(H,20,23)
InChIKeyZZPYKRDPCBXMQQ-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.80
Rot. Bonds6

About 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 51233758) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID51233758
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C17H15N5O3/c18-16(24)11-3-5-13(6-4-11)20-14(23)7-8-15-21-17(22-25-15)12-2-1-9-19-10-12/h1-6,9-10H,7-8H2,(H2,18,24)(H,20,23)
InChIKeyZZPYKRDPCBXMQQ-UHFFFAOYSA-N
XLogP1.80
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46460553
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
N-(4-morpholin-4-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354680
2-chloro-N-phenyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 86954732
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 100759667
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
CID 16765520
N-(6-methoxy-3-pyridinyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459907
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55622608
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55991123

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 51233758) is 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1.
What is the InChIKey of 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is ZZPYKRDPCBXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c18-16(24)11-3-5-13(6-4-11)20-14(23)7-8-15-21-17(22-25-15)12-2-1-9-19-10-12/h1-6,9-10H,7-8H2,(H2,18,24)(H,20,23).
What are the key properties of 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 337.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 51233758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).