5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide

C27H24N8O2 — CID 135256875

About 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide

5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide (PubChem CID 135256875) has the molecular formula C27H24N8O2 and a molecular weight of 492.54 g/mol. Its IUPAC name is 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide
• PubChem CID: 135256875
• Molecular Formula: C27H24N8O2
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.20
• IUPAC Name: 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2noc(C)n2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4ccccc4)nc3)nc2)n1
• InChI: InChI=1S/C27H24N8O2/c1-16-13-24(34-27-32-18(3)37-35-27)33-25(30-16)21-10-12-23(29-15-21)26(36)31-17(2)20-9-11-22(28-14-20)19-7-5-4-6-8-19/h4-15,17H,1-3H3,(H,31,36)(H,30,33,34,35)
• InChIKey: OUKWAQBIUVXHQT-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 131.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide (CID 135256875) is 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide is Cc1cc(Nc2noc(C)n2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4ccccc4)nc3)nc2)n1.

What is the InChIKey of 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide?

The InChIKey is OUKWAQBIUVXHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O2/c1-16-13-24(34-27-32-18(3)37-35-27)33-25(30-16)21-10-12-23(29-15-21)26(36)31-17(2)20-9-11-22(28-14-20)19-7-5-4-6-8-19/h4-15,17H,1-3H3,(H,31,36)(H,30,33,34,35).

What are the key properties of 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide?

5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)amino]pyrimidin-2-yl]-N-[1-(6-phenyl-3-pyridinyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).