2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

C20H18N6O4 — CID 122177906

IUPAC2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESO=C1CCN(c2ccccc2C(=O)NCCc2nc(-c3ccccn3)no2)C(=O)N1
InChIInChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
InChIKeyVEVDSJNRSJPWSK-UHFFFAOYSA-N
MW406.40 g/mol
LogP1.55
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 122177906) has the molecular formula C20H18N6O4 and a molecular weight of 406.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID122177906
Molecular FormulaC20H18N6O4
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESO=C1CCN(c2ccccc2C(=O)NCCc2nc(-c3ccccn3)no2)C(=O)N1
InChIInChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)
InChIKeyVEVDSJNRSJPWSK-UHFFFAOYSA-N
XLogP1.55
TPSA130.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 122177906) is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is O=C1CCN(c2ccccc2C(=O)NCCc2nc(-c3ccccn3)no2)C(=O)N1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is VEVDSJNRSJPWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29).
What are the key properties of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 406.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 122177906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).