N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid

C28H38N6O7S — CID 71461388

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid (PubChem CID 71461388) has the molecular formula C28H38N6O7S and a molecular weight of 602.71 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid.

Molecular Properties

• Compound Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid
• PubChem CID: 71461388
• Molecular Formula: C28H38N6O7S
• Molecular Weight: 602.71 g/mol
• Exact Mass: 602.25
• IUPAC Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid
• SMILES: CCN1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1.CS(=O)(=O)O
• InChI: InChI=1S/C27H34N6O4.CH4O3S/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4;1-5(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35);1H3,(H,2,3,4)
• InChIKey: PRIUUSNCMQWMJS-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 175.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.71
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid (CID 71461388) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid.

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

The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid is CCN1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1.CS(=O)(=O)O.

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

The InChIKey is PRIUUSNCMQWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4.CH4O3S/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4;1-5(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35);1H3,(H,2,3,4).

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid has a molecular weight of 602.71 g/mol, XLogP of 4.63, 7 rotatable bonds, 4 hydrogen bond donors, and 9 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-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid is sourced from PubChem (CID 71461388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).