N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide

C19H17N5O4 — CID 167752991

IUPACN-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccccc1N(CCC#N)C(=O)Cn1nc(-c2cccnc2)oc1=O
InChIInChI=1S/C19H17N5O4/c1-27-16-8-3-2-7-15(16)23(11-5-9-20)17(25)13-24-19(26)28-18(22-24)14-6-4-10-21-12-14/h2-4,6-8,10,12H,5,11,13H2,1H3
InChIKeyHFPPRHSXVXYHMF-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.85
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide

N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 167752991) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID167752991
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccccc1N(CCC#N)C(=O)Cn1nc(-c2cccnc2)oc1=O
InChIInChI=1S/C19H17N5O4/c1-27-16-8-3-2-7-15(16)23(11-5-9-20)17(25)13-24-19(26)28-18(22-24)14-6-4-10-21-12-14/h2-4,6-8,10,12H,5,11,13H2,1H3
InChIKeyHFPPRHSXVXYHMF-UHFFFAOYSA-N
XLogP1.85
TPSA114.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 8786837
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[2-[acetyl(2-cyanoethyl)amino]phenyl] acetate
CID 12885898
3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile
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2-[[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide (CID 167752991) is N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide is COc1ccccc1N(CCC#N)C(=O)Cn1nc(-c2cccnc2)oc1=O.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is HFPPRHSXVXYHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-27-16-8-3-2-7-15(16)23(11-5-9-20)17(25)13-24-19(26)28-18(22-24)14-6-4-10-21-12-14/h2-4,6-8,10,12H,5,11,13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide?
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 379.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 167752991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).