N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide

C20H18N4O4 — CID 167798458

IUPACN-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2nc(-c3cc4c([nH]c3=O)CCOC4)no2)cc1
InChIInChI=1S/C20H18N4O4/c1-12(25)21-15-5-2-13(3-6-15)4-7-18-23-19(24-28-18)16-10-14-11-27-9-8-17(14)22-20(16)26/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H,22,26)/b7-4+
InChIKeyVWRKLHHRGVOXSY-QPJJXVBHSA-N
MW378.39 g/mol
LogP2.63
Rot. Bonds4

About N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide

N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide (PubChem CID 167798458) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
PubChem CID167798458
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2nc(-c3cc4c([nH]c3=O)CCOC4)no2)cc1
InChIInChI=1S/C20H18N4O4/c1-12(25)21-15-5-2-13(3-6-15)4-7-18-23-19(24-28-18)16-10-14-11-27-9-8-17(14)22-20(16)26/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H,22,26)/b7-4+
InChIKeyVWRKLHHRGVOXSY-QPJJXVBHSA-N
XLogP2.63
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide (CID 167798458) is N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/c2nc(-c3cc4c([nH]c3=O)CCOC4)no2)cc1.
What is the InChIKey of N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide?
The InChIKey is VWRKLHHRGVOXSY-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-12(25)21-15-5-2-13(3-6-15)4-7-18-23-19(24-28-18)16-10-14-11-27-9-8-17(14)22-20(16)26/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H,22,26)/b7-4+.
What are the key properties of N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide?
N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide has a molecular weight of 378.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 167798458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).