6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C28H29N5O3 — CID 112833724

About 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 112833724) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 112833724
• Molecular Formula: C28H29N5O3
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.23
• IUPAC Name: 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)c12
• InChI: InChI=1S/C28H29N5O3/c1-28(2,3)15-23-24-21(14-22(17-10-11-17)32-27(24)36-33-23)26(35)31-19-9-6-7-18(13-19)25(34)30-16-20-8-4-5-12-29-20/h4-9,12-14,17H,10-11,15-16H2,1-3H3,(H,30,34)(H,31,35)
• InChIKey: WTVNJENCYVJZKQ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 110.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 112833724) is 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)c12.

What is the InChIKey of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is WTVNJENCYVJZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-28(2,3)15-23-24-21(14-22(17-10-11-17)32-27(24)36-33-23)26(35)31-19-9-6-7-18(13-19)25(34)30-16-20-8-4-5-12-29-20/h4-9,12-14,17H,10-11,15-16H2,1-3H3,(H,30,34)(H,31,35).

What are the key properties of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 112833724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).