N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide

C29H38N6O4 — CID 54760612

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 54760612) has the molecular formula C29H38N6O4 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide
• PubChem CID: 54760612
• Molecular Formula: C29H38N6O4
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.30
• IUPAC Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide
• SMILES: CC1(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC(C)(C)N1
• InChI: InChI=1S/C29H38N6O4/c1-27(2,3)23-14-24(34-39-23)33-26(37)32-19-10-8-18(9-11-19)31-25(36)22-13-12-20(17-30-22)38-21-15-28(4,5)35-29(6,7)16-21/h8-14,17,21,35H,15-16H2,1-7H3,(H,31,36)(H2,32,33,34,37)
• InChIKey: PBNPHBXRMOAALS-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 130.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide?

The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 54760612) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide.

What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide?

The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide is CC1(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC(C)(C)N1.

What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide?

The InChIKey is PBNPHBXRMOAALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O4/c1-27(2,3)23-14-24(34-39-23)33-26(37)32-19-10-8-18(9-11-19)31-25(36)22-13-12-20(17-30-22)38-21-15-28(4,5)35-29(6,7)16-21/h8-14,17,21,35H,15-16H2,1-7H3,(H,31,36)(H2,32,33,34,37).

What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide?

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 534.66 g/mol, XLogP of 5.95, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54760612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).