3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide

C21H18N6O4 — CID 90562404

About 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide (PubChem CID 90562404) has the molecular formula C21H18N6O4 and a molecular weight of 418.41 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide
• PubChem CID: 90562404
• Molecular Formula: C21H18N6O4
• Molecular Weight: 418.41 g/mol
• Exact Mass: 418.14
• IUPAC Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide
• SMILES: O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1
• InChI: InChI=1S/C21H18N6O4/c28-17(7-10-27-11-8-18(29)24-21(27)30)23-16-6-2-1-4-14(16)12-19-25-20(26-31-19)15-5-3-9-22-13-15/h1-6,8-9,11,13H,7,10,12H2,(H,23,28)(H,24,29,30)
• InChIKey: DWZAHOBQEAOZNF-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 135.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.41
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide?

The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide (CID 90562404) is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide.

What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide?

The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide is O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1.

What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide?

The InChIKey is DWZAHOBQEAOZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4/c28-17(7-10-27-11-8-18(29)24-21(27)30)23-16-6-2-1-4-14(16)12-19-25-20(26-31-19)15-5-3-9-22-13-15/h1-6,8-9,11,13H,7,10,12H2,(H,23,28)(H,24,29,30).

What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide?

3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide has a molecular weight of 418.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 90562404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).