N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide

C25H34N6O2 — CID 59225162

About N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 59225162) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
• PubChem CID: 59225162
• Molecular Formula: C25H34N6O2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.27
• IUPAC Name: N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
• SMILES: CN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)NC1CC2CCC1C2
• InChI: InChI=1S/C25H34N6O2/c1-30(2)11-12-31(25(33)29-23-14-17-7-9-19(23)13-17)16-18-8-10-22(27-15-18)24(32)28-21-6-4-3-5-20(21)26/h3-6,8,10,15,17,19,23H,7,9,11-14,16,26H2,1-2H3,(H,28,32)(H,29,33)
• InChIKey: MFMRKNRBUSDGBU-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 103.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?

The IUPAC name of N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide (CID 59225162) is N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide is CN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)NC1CC2CCC1C2.

What is the InChIKey of N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?

The InChIKey is MFMRKNRBUSDGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-30(2)11-12-31(25(33)29-23-14-17-7-9-19(23)13-17)16-18-8-10-22(27-15-18)24(32)28-21-6-4-3-5-20(21)26/h3-6,8,10,15,17,19,23H,7,9,11-14,16,26H2,1-2H3,(H,28,32)(H,29,33).

What are the key properties of N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?

N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 59225162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).