N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide

C24H30N8O2 — CID 10204982

About N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide

N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide (PubChem CID 10204982) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide
• PubChem CID: 10204982
• Molecular Formula: C24H30N8O2
• Molecular Weight: 462.56 g/mol
• Exact Mass: 462.25
• IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide
• SMILES: [H]/N=C(\N)c1ccc(CNC(=O)Cc2c(-c3cc(N)cc(N)c3)[nH]cc(NN(C)CC)c2=O)cc1
• InChI: InChI=1S/C24H30N8O2/c1-3-32(2)31-20-13-30-22(16-8-17(25)10-18(26)9-16)19(23(20)34)11-21(33)29-12-14-4-6-15(7-5-14)24(27)28/h4-10,13,31H,3,11-12,25-26H2,1-2H3,(H3,27,28)(H,29,33)(H,30,34)
• InChIKey: ZCKCDZCHERZCNL-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 179.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.56
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide?

The IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide (CID 10204982) is N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide.

What is the SMILES notation for N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide?

The canonical SMILES for N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide is [H]/N=C(\N)c1ccc(CNC(=O)Cc2c(-c3cc(N)cc(N)c3)[nH]cc(NN(C)CC)c2=O)cc1.

What is the InChIKey of N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide?

The InChIKey is ZCKCDZCHERZCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-3-32(2)31-20-13-30-22(16-8-17(25)10-18(26)9-16)19(23(20)34)11-21(33)29-12-14-4-6-15(7-5-14)24(27)28/h4-10,13,31H,3,11-12,25-26H2,1-2H3,(H3,27,28)(H,29,33)(H,30,34).

What are the key properties of N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide?

N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide has a molecular weight of 462.56 g/mol, XLogP of 1.63, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-carbamimidoylphenyl)methyl]-2-[2-(3,5-diaminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-4-oxo-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 10204982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).