N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide

C25H36N6O — CID 89119900

About N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 89119900) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide
• PubChem CID: 89119900
• Molecular Formula: C25H36N6O
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.30
• IUPAC Name: N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide
• SMILES: C/C=C(/N)N(CCCN1CCC(C)CC1)Cc1ccc(C(=O)Nc2ccccc2N)nc1
• InChI: InChI=1S/C25H36N6O/c1-3-24(27)31(14-6-13-30-15-11-19(2)12-16-30)18-20-9-10-23(28-17-20)25(32)29-22-8-5-4-7-21(22)26/h3-5,7-10,17,19H,6,11-16,18,26-27H2,1-2H3,(H,29,32)/b24-3-
• InChIKey: YAPMITAISOVADA-VJVWGREKSA-N
• XLogP: 3.66
• TPSA: 100.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide?

The IUPAC name of N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide (CID 89119900) is N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide is C/C=C(/N)N(CCCN1CCC(C)CC1)Cc1ccc(C(=O)Nc2ccccc2N)nc1.

What is the InChIKey of N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide?

The InChIKey is YAPMITAISOVADA-VJVWGREKSA-N. The full InChI is InChI=1S/C25H36N6O/c1-3-24(27)31(14-6-13-30-15-11-19(2)12-16-30)18-20-9-10-23(28-17-20)25(32)29-22-8-5-4-7-21(22)26/h3-5,7-10,17,19H,6,11-16,18,26-27H2,1-2H3,(H,29,32)/b24-3-.

What are the key properties of N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide?

N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 89119900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).