N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide

C23H21N7O2 — CID 66779739

About N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide

N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide (PubChem CID 66779739) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 66779739
• Molecular Formula: C23H21N7O2
• Molecular Weight: 427.47 g/mol
• Exact Mass: 427.18
• IUPAC Name: N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1
• InChI: InChI=1S/C23H21N7O2/c1-14-3-4-16(11-25-14)19(31)28-22-29-20(30-32-22)23(9-2-10-23)18-7-5-15(6-8-18)17-12-26-21(24)27-13-17/h3-8,11-13H,2,9-10H2,1H3,(H2,24,26,27)(H,28,29,30,31)
• InChIKey: UDALEXYSYRYXDJ-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 132.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.47
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide (CID 66779739) is N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.

What is the InChIKey of N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is UDALEXYSYRYXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-14-3-4-16(11-25-14)19(31)28-22-29-20(30-32-22)23(9-2-10-23)18-7-5-15(6-8-18)17-12-26-21(24)27-13-17/h3-8,11-13H,2,9-10H2,1H3,(H2,24,26,27)(H,28,29,30,31).

What are the key properties of N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide?

N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 66779739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).