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-carboxamide

C26H22ClN7O4 — CID 134823271

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-carboxamide

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-carboxamide (PubChem CID 134823271) has the molecular formula C26H22ClN7O4 and a molecular weight of 531.96 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-carboxamide.

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-carboxamide
• PubChem CID: 134823271
• Molecular Formula: C26H22ClN7O4
• Molecular Weight: 531.96 g/mol
• Exact Mass: 531.14
• 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-carboxamide
• SMILES: Cc1noc(C2CN=C(Nc3ccc(Oc4cccc(C(N)=O)n4)cc3)N(Cc3ccc(Cl)cc3)C2=O)n1
• InChI: InChI=1S/C26H22ClN7O4/c1-15-30-24(38-33-15)20-13-29-26(34(25(20)36)14-16-5-7-17(27)8-6-16)31-18-9-11-19(12-10-18)37-22-4-2-3-21(32-22)23(28)35/h2-12,20H,13-14H2,1H3,(H2,28,35)(H,29,31)
• InChIKey: AZDQWVQHZCLEQP-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 148.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.96
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
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-carboxamide?

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-carboxamide (CID 134823271) 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-carboxamide.

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-carboxamide?

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-carboxamide is Cc1noc(C2CN=C(Nc3ccc(Oc4cccc(C(N)=O)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-carboxamide?

The InChIKey is AZDQWVQHZCLEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN7O4/c1-15-30-24(38-33-15)20-13-29-26(34(25(20)36)14-16-5-7-17(27)8-6-16)31-18-9-11-19(12-10-18)37-22-4-2-3-21(32-22)23(28)35/h2-12,20H,13-14H2,1H3,(H2,28,35)(H,29,31).

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-carboxamide?

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-carboxamide has a molecular weight of 531.96 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 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-carboxamide is sourced from PubChem (CID 134823271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).