N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide

C25H33N5O4 — CID 55987669

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 55987669) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
• PubChem CID: 55987669
• Molecular Formula: C25H33N5O4
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.25
• IUPAC Name: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
• SMILES: Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)c12
• InChI: InChI=1S/C25H33N5O4/c1-16-21-18(13-19(20-7-6-12-33-20)27-23(21)34-28-16)24(32)30-10-8-17(9-11-30)22(31)26-14-25(2,3)15-29(4)5/h6-7,12-13,17H,8-11,14-15H2,1-5H3,(H,26,31)
• InChIKey: JQKCHVMIOLTMOV-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 104.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide (CID 55987669) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)c12.

What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?

The InChIKey is JQKCHVMIOLTMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-16-21-18(13-19(20-7-6-12-33-20)27-23(21)34-28-16)24(32)30-10-8-17(9-11-30)22(31)26-14-25(2,3)15-29(4)5/h6-7,12-13,17H,8-11,14-15H2,1-5H3,(H,26,31).

What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55987669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).