2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide

C18H17N5O2S — CID 53160968

IUPAC2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CSc1ncccc1-c1noc(C2CC2)n1)NCc1cccnc1
InChIInChI=1S/C18H17N5O2S/c24-15(21-10-12-3-1-7-19-9-12)11-26-18-14(4-2-8-20-18)16-22-17(25-23-16)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2,(H,21,24)
InChIKeyCEZKSQBSKNIFHA-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.81
Rot. Bonds7

About 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide

2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 53160968) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID53160968
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CSc1ncccc1-c1noc(C2CC2)n1)NCc1cccnc1
InChIInChI=1S/C18H17N5O2S/c24-15(21-10-12-3-1-7-19-9-12)11-26-18-14(4-2-8-20-18)16-22-17(25-23-16)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2,(H,21,24)
InChIKeyCEZKSQBSKNIFHA-UHFFFAOYSA-N
XLogP2.81
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 53200927
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50824889
N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152433
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53156209
3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446299
(1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 171336884
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 135653937
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 95101110
2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide
CID 42764015
4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide
CID 4178179
2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53152435

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide (CID 53160968) is 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CSc1ncccc1-c1noc(C2CC2)n1)NCc1cccnc1.
What is the InChIKey of 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is CEZKSQBSKNIFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-15(21-10-12-3-1-7-19-9-12)11-26-18-14(4-2-8-20-18)16-22-17(25-23-16)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2,(H,21,24).
What are the key properties of 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 53160968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).