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

C22H19N5O3S — CID 55783491

IUPACN-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C22H19N5O3S/c28-19(7-8-20-26-21(27-30-20)16-9-11-31-14-16)25-17-6-3-4-15(12-17)22(29)24-13-18-5-1-2-10-23-18/h1-6,9-12,14H,7-8,13H2,(H,24,29)(H,25,28)
InChIKeyFNSQBQSUCXBYQA-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.69
Rot. Bonds8

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

N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 55783491) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID55783491
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C22H19N5O3S/c28-19(7-8-20-26-21(27-30-20)16-9-11-31-14-16)25-17-6-3-4-15(12-17)22(29)24-13-18-5-1-2-10-23-18/h1-6,9-12,14H,7-8,13H2,(H,24,29)(H,25,28)
InChIKeyFNSQBQSUCXBYQA-UHFFFAOYSA-N
XLogP3.69
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-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

methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
CID 55848093
N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
CID 55783677
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55748698
N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9072654
N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide
CID 55693673
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38613806
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 46616250
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9087195
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9085549
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26689322

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 55783491) is N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is FNSQBQSUCXBYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c28-19(7-8-20-26-21(27-30-20)16-9-11-31-14-16)25-17-6-3-4-15(12-17)22(29)24-13-18-5-1-2-10-23-18/h1-6,9-12,14H,7-8,13H2,(H,24,29)(H,25,28).
What are the key properties of N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 55783491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).