4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide

C24H30N6O4 — CID 146444868

About 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide

4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide (PubChem CID 146444868) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide
• PubChem CID: 146444868
• Molecular Formula: C24H30N6O4
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.23
• IUPAC Name: 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide
• SMILES: CCC1([C@@H](Nc2c(Nc3ccnc(C(=O)N(C)C)c3O)c(=O)c2=O)c2nn(C)cc2C)CCC1
• InChI: InChI=1S/C24H30N6O4/c1-6-24(9-7-10-24)22(15-13(2)12-30(5)28-15)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)/t22-/m0/s1
• InChIKey: OCGPYLFWVYCTMG-QFIPXVFZSA-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	466.54
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 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide?

The IUPAC name of 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide (CID 146444868) is 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide.

What is the SMILES notation for 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide?

The canonical SMILES for 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide is CCC1([C@@H](Nc2c(Nc3ccnc(C(=O)N(C)C)c3O)c(=O)c2=O)c2nn(C)cc2C)CCC1.

What is the InChIKey of 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide?

The InChIKey is OCGPYLFWVYCTMG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-6-24(9-7-10-24)22(15-13(2)12-30(5)28-15)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)/t22-/m0/s1.

What are the key properties of 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide?

4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 466.54 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 4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-ethylcyclobutyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 146444868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).