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

C26H27N7O6 — CID 59380981

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide (PubChem CID 59380981) has the molecular formula C26H27N7O6 and a molecular weight of 533.55 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide
• PubChem CID: 59380981
• Molecular Formula: C26H27N7O6
• Molecular Weight: 533.55 g/mol
• Exact Mass: 533.20
• IUPAC Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide
• SMILES: COc1cc(OC)nc(Oc2cccnc2C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1
• InChI: InChI=1S/C26H27N7O6/c1-26(2,3)18-13-19(33-39-18)30-24(35)29-16-10-8-15(9-11-16)28-23(34)22-17(7-6-12-27-22)38-25-31-20(36-4)14-21(32-25)37-5/h6-14H,1-5H3,(H,28,34)(H2,29,30,33,35)
• InChIKey: AMARZVPEMFCION-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 162.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.55
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide (CID 59380981) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide.

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

The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide is COc1cc(OC)nc(Oc2cccnc2C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1.

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

The InChIKey is AMARZVPEMFCION-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O6/c1-26(2,3)18-13-19(33-39-18)30-24(35)29-16-10-8-15(9-11-16)28-23(34)22-17(7-6-12-27-22)38-25-31-20(36-4)14-21(32-25)37-5/h6-14H,1-5H3,(H,28,34)(H2,29,30,33,35).

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide has a molecular weight of 533.55 g/mol, XLogP of 4.86, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 59380981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).