4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one

C22H25N5O3 — CID 172669996

About 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one

4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one (PubChem CID 172669996) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
• PubChem CID: 172669996
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
• SMILES: Cc1cnc(Cn2ccc(C)c(C(=O)N3CCCCC3c3cc(C)on3)c2=O)cn1
• InChI: InChI=1S/C22H25N5O3/c1-14-7-9-26(13-17-12-23-15(2)11-24-17)21(28)20(14)22(29)27-8-5-4-6-19(27)18-10-16(3)30-25-18/h7,9-12,19H,4-6,8,13H2,1-3H3
• InChIKey: YTUXCFOCXYXQCE-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 94.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one?

The IUPAC name of 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one (CID 172669996) is 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one.

What is the SMILES notation for 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one?

The canonical SMILES for 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one is Cc1cnc(Cn2ccc(C)c(C(=O)N3CCCCC3c3cc(C)on3)c2=O)cn1.

What is the InChIKey of 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one?

The InChIKey is YTUXCFOCXYXQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-7-9-26(13-17-12-23-15(2)11-24-17)21(28)20(14)22(29)27-8-5-4-6-19(27)18-10-16(3)30-25-18/h7,9-12,19H,4-6,8,13H2,1-3H3.

What are the key properties of 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one?

4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one has a molecular weight of 407.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 172669996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).