N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide

C23H26N4O4 — CID 110246752

About N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide (PubChem CID 110246752) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide
• PubChem CID: 110246752
• Molecular Formula: C23H26N4O4
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.20
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2cccn(CC(=O)NC(C)c3ccc(C(C)C)cc3)c2=O)no1
• InChI: InChI=1S/C23H26N4O4/c1-14(2)17-7-9-18(10-8-17)16(4)24-21(28)13-27-11-5-6-19(23(27)30)22(29)25-20-12-15(3)31-26-20/h5-12,14,16H,13H2,1-4H3,(H,24,28)(H,25,26,29)
• InChIKey: NKYQGOIKWQOJPZ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 106.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide (CID 110246752) is N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccn(CC(=O)NC(C)c3ccc(C(C)C)cc3)c2=O)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide?

The InChIKey is NKYQGOIKWQOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-14(2)17-7-9-18(10-8-17)16(4)24-21(28)13-27-11-5-6-19(23(27)30)22(29)25-20-12-15(3)31-26-20/h5-12,14,16H,13H2,1-4H3,(H,24,28)(H,25,26,29).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110246752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).