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

C19H19N5O2S — CID 53200927

IUPAC2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ncccc1-c1noc(C2CCC2)n1)NCc1ccccn1
InChIInChI=1S/C19H19N5O2S/c25-16(22-11-14-7-1-2-9-20-14)12-27-19-15(8-4-10-21-19)17-23-18(26-24-17)13-5-3-6-13/h1-2,4,7-10,13H,3,5-6,11-12H2,(H,22,25)
InChIKeyVPHHSEQCSBMBLR-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.20
Rot. Bonds7

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

2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 53200927) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID53200927
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ncccc1-c1noc(C2CCC2)n1)NCc1ccccn1
InChIInChI=1S/C19H19N5O2S/c25-16(22-11-14-7-1-2-9-20-14)12-27-19-15(8-4-10-21-19)17-23-18(26-24-17)13-5-3-6-13/h1-2,4,7-10,13H,3,5-6,11-12H2,(H,22,25)
InChIKeyVPHHSEQCSBMBLR-UHFFFAOYSA-N
XLogP3.20
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 53160968
N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160899
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 51108679
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95101144
1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53166229
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152433
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95101129
3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023192
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 95101110

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (CID 53200927) is 2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CSc1ncccc1-c1noc(C2CCC2)n1)NCc1ccccn1.
What is the InChIKey of 2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is VPHHSEQCSBMBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-16(22-11-14-7-1-2-9-20-14)12-27-19-15(8-4-10-21-19)17-23-18(26-24-17)13-5-3-6-13/h1-2,4,7-10,13H,3,5-6,11-12H2,(H,22,25).
What are the key properties of 2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 53200927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).