2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide

C24H26ClN5O — CID 166683088

About 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide

2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide (PubChem CID 166683088) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide
• PubChem CID: 166683088
• Molecular Formula: C24H26ClN5O
• Molecular Weight: 435.96 g/mol
• Exact Mass: 435.18
• IUPAC Name: 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide
• SMILES: C/N=C/C(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2cncnc2C(C)C)c1
• InChI: InChI=1S/C24H26ClN5O/c1-15(2)22-19(12-27-14-28-22)21-11-17(23(31)30-24(3,4)13-26-5)10-20(29-21)16-6-8-18(25)9-7-16/h6-15H,1-5H3,(H,30,31)/b26-13+
• InChIKey: VDFCFSQGBLGXGU-LGJNPRDNSA-N
• XLogP: 5.19
• TPSA: 80.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.96
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide?

The IUPAC name of 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide (CID 166683088) is 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide is C/N=C/C(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2cncnc2C(C)C)c1.

What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide?

The InChIKey is VDFCFSQGBLGXGU-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-15(2)22-19(12-27-14-28-22)21-11-17(23(31)30-24(3,4)13-26-5)10-20(29-21)16-6-8-18(25)9-7-16/h6-15H,1-5H3,(H,30,31)/b26-13+.

What are the key properties of 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide?

2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 166683088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).