6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile

C26H20ClN7O3 — CID 134823265

About 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile

6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile (PubChem CID 134823265) has the molecular formula C26H20ClN7O3 and a molecular weight of 513.95 g/mol. Its IUPAC name is 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile
• PubChem CID: 134823265
• Molecular Formula: C26H20ClN7O3
• Molecular Weight: 513.95 g/mol
• Exact Mass: 513.13
• IUPAC Name: 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile
• SMILES: Cc1noc(C2CN=C(Nc3ccc(Oc4cccc(C#N)n4)cc3)N(Cc3ccc(Cl)cc3)C2=O)n1
• InChI: InChI=1S/C26H20ClN7O3/c1-16-30-24(37-33-16)22-14-29-26(34(25(22)35)15-17-5-7-18(27)8-6-17)32-19-9-11-21(12-10-19)36-23-4-2-3-20(13-28)31-23/h2-12,22H,14-15H2,1H3,(H,29,32)
• InChIKey: KYSJYSGKNYAAON-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 129.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.95
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile?

The IUPAC name of 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile (CID 134823265) is 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile?

The canonical SMILES for 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile is Cc1noc(C2CN=C(Nc3ccc(Oc4cccc(C#N)n4)cc3)N(Cc3ccc(Cl)cc3)C2=O)n1.

What is the InChIKey of 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile?

The InChIKey is KYSJYSGKNYAAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN7O3/c1-16-30-24(37-33-16)22-14-29-26(34(25(22)35)15-17-5-7-18(27)8-6-17)32-19-9-11-21(12-10-19)36-23-4-2-3-20(13-28)31-23/h2-12,22H,14-15H2,1H3,(H,29,32).

What are the key properties of 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile?

6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile has a molecular weight of 513.95 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[1-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-4,5-dihydropyrimidin-2-yl]amino]phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 134823265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).