N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide

C24H26N6O3 — CID 71768704

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 71768704) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 71768704
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: CN(Cc1ccn(-c2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1)C1CC1
• InChI: InChI=1S/C24H26N6O3/c1-29(18-9-10-18)15-17-11-13-30(28-17)23-19(8-5-12-26-23)24(33)27-20(21(31)22(25)32)14-16-6-3-2-4-7-16/h2-8,11-13,18,20H,9-10,14-15H2,1H3,(H2,25,32)(H,27,33)
• InChIKey: FINZXTITZGFHPW-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 123.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide (CID 71768704) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide is CN(Cc1ccn(-c2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1)C1CC1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide?

The InChIKey is FINZXTITZGFHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-29(18-9-10-18)15-17-11-13-30(28-17)23-19(8-5-12-26-23)24(33)27-20(21(31)22(25)32)14-16-6-3-2-4-7-16/h2-8,11-13,18,20H,9-10,14-15H2,1H3,(H2,25,32)(H,27,33).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 1.26, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71768704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).