3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide

C24H30N6O4 — CID 146444889

About 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide

3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide (PubChem CID 146444889) has the molecular formula C24H30N6O4 and a molecular weight of 469.56 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide
• PubChem CID: 146444889
• Molecular Formula: C24H30N6O4
• Molecular Weight: 469.56 g/mol
• Exact Mass: 469.25
• IUPAC Name: 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide
• SMILES: [2H]C([2H])([2H])c1cn(C)nc1C(Nc1c(Nc2ccnc(C(=O)N(C)C)c2O)c(=O)c1=O)C1(C)CCCC1
• InChI: InChI=1S/C24H30N6O4/c1-13-12-30(5)28-15(13)22(24(2)9-6-7-10-24)27-17-16(20(32)21(17)33)26-14-8-11-25-18(19(14)31)23(34)29(3)4/h8,11-12,22,27,31H,6-7,9-10H2,1-5H3,(H,25,26)/i1D3
• InChIKey: WZBSYWCLIMRAHO-FIBGUPNXSA-N
• XLogP: 2.60
• TPSA: 129.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.56
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide?

The IUPAC name of 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide (CID 146444889) is 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide?

The canonical SMILES for 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide is [2H]C([2H])([2H])c1cn(C)nc1C(Nc1c(Nc2ccnc(C(=O)N(C)C)c2O)c(=O)c1=O)C1(C)CCCC1.

What is the InChIKey of 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide?

The InChIKey is WZBSYWCLIMRAHO-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-13-12-30(5)28-15(13)22(24(2)9-6-7-10-24)27-17-16(20(32)21(17)33)26-14-8-11-25-18(19(14)31)23(34)29(3)4/h8,11-12,22,27,31H,6-7,9-10H2,1-5H3,(H,25,26)/i1D3.

What are the key properties of 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide?

3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-N,N-dimethyl-4-[[2-[[(1-methylcyclopentyl)-[1-methyl-4-(trideuteriomethyl)pyrazol-3-yl]methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 146444889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).