2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C21H24N8O4 — CID 164752519

About 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164752519) has the molecular formula C21H24N8O4 and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 164752519
• Molecular Formula: C21H24N8O4
• Molecular Weight: 452.48 g/mol
• Exact Mass: 452.19
• IUPAC Name: 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccn(-c3ccn[nH]3)n2)cc1C(N)=O
• InChI: InChI=1S/C21H24N8O4/c1-12-3-4-16(15-6-8-29(27-15)17-5-7-24-26-17)28(11-12)21(32)19(31)25-13-9-14(18(22)30)20(33-2)23-10-13/h5-10,12,16H,3-4,11H2,1-2H3,(H2,22,30)(H,24,26)(H,25,31)
• InChIKey: KGAWDAMPHNBRCM-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 161.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.48
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164752519) is 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccn(-c3ccn[nH]3)n2)cc1C(N)=O.

What is the InChIKey of 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The InChIKey is KGAWDAMPHNBRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O4/c1-12-3-4-16(15-6-8-29(27-15)17-5-7-24-26-17)28(11-12)21(32)19(31)25-13-9-14(18(22)30)20(33-2)23-10-13/h5-10,12,16H,3-4,11H2,1-2H3,(H2,22,30)(H,24,26)(H,25,31).

What are the key properties of 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164752519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).