N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide

C18H17N5O2S — CID 2622866

IUPACN-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide
SMILESO=C(CSc1nnc2ccccn12)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C18H17N5O2S/c24-16(11-26-18-22-21-15-7-3-4-10-23(15)18)20-14-6-2-1-5-13(14)17(25)19-12-8-9-12/h1-7,10,12H,8-9,11H2,(H,19,25)(H,20,24)
InChIKeyWEEYWDBOXOAQDK-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.35
Rot. Bonds6

About N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide

N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 2622866) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide
PubChem CID2622866
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide
SMILESO=C(CSc1nnc2ccccn12)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C18H17N5O2S/c24-16(11-26-18-22-21-15-7-3-4-10-23(15)18)20-14-6-2-1-5-13(14)17(25)19-12-8-9-12/h1-7,10,12H,8-9,11H2,(H,19,25)(H,20,24)
InChIKeyWEEYWDBOXOAQDK-UHFFFAOYSA-N
XLogP2.35
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide with MolForge

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Related Compounds

3-(3-Tert-Butyl[1,2,4]triazolo[4,3-A]pyridin-7-Yl)-N-Cyclopropyl-4-Methylbenzamide
CID 25059320
1-(2,3-Dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2458297
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 3984871
2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide
CID 9262805
N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16314045
2-[4-(2-Ethyl-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-methyl-acetamide
CID 646117
2-Fluoro-N-{4-[2-(4-methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-phenyl}-benzamide
CID 1439383
N'-[2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 1455166
N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
CID 25054177
N-[2-[(2S)-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58029357
2-({[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-4-quinazolinol
CID 135448817
2-({[4-cyclohexyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-4-quinazolinol
CID 135476861

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide (CID 2622866) is N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide is O=C(CSc1nnc2ccccn12)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is WEEYWDBOXOAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-16(11-26-18-22-21-15-7-3-4-10-23(15)18)20-14-6-2-1-5-13(14)17(25)19-12-8-9-12/h1-7,10,12H,8-9,11H2,(H,19,25)(H,20,24).
What are the key properties of N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 367.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 2622866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).