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

C21H24N6O2 — CID 172667643

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

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 172667643) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one
• PubChem CID: 172667643
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one
• SMILES: Cc1cnc(Cn2ccc(C)c(C(=O)N3CCC(c4ccn[nH]4)CC3)c2=O)cn1
• InChI: InChI=1S/C21H24N6O2/c1-14-4-8-27(13-17-12-22-15(2)11-23-17)21(29)19(14)20(28)26-9-5-16(6-10-26)18-3-7-24-25-18/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H,24,25)
• InChIKey: FTARQVKTHRRDLV-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one (CID 172667643) is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one.

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

The canonical SMILES for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one is Cc1cnc(Cn2ccc(C)c(C(=O)N3CCC(c4ccn[nH]4)CC3)c2=O)cn1.

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

The InChIKey is FTARQVKTHRRDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-4-8-27(13-17-12-22-15(2)11-23-17)21(29)19(14)20(28)26-9-5-16(6-10-26)18-3-7-24-25-18/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H,24,25).

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

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 172667643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).