4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide

C22H30N10O3 — CID 70120878

About 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide

4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 70120878) has the molecular formula C22H30N10O3 and a molecular weight of 482.55 g/mol. Its IUPAC name is 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
• PubChem CID: 70120878
• Molecular Formula: C22H30N10O3
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.25
• IUPAC Name: 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
• SMILES: CC(CNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cn1C)/N=C/NN
• InChI: InChI=1S/C22H30N10O3/c1-13(26-12-27-24)8-25-20(33)18-6-15(10-31(18)3)29-22(35)19-7-16(11-32(19)4)28-21(34)17-5-14(23)9-30(17)2/h5-7,9-13H,8,23-24H2,1-4H3,(H,25,33)(H,26,27)(H,28,34)(H,29,35)
• InChIKey: GSFCGXVXYKBQNI-UHFFFAOYSA-N
• XLogP: 0.40
• TPSA: 178.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', '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 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide?

The IUPAC name of 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide (CID 70120878) is 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide.

What is the SMILES notation for 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide?

The canonical SMILES for 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide is CC(CNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cn1C)/N=C/NN.

What is the InChIKey of 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide?

The InChIKey is GSFCGXVXYKBQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N10O3/c1-13(26-12-27-24)8-25-20(33)18-6-15(10-31(18)3)29-22(35)19-7-16(11-32(19)4)28-21(34)17-5-14(23)9-30(17)2/h5-7,9-13H,8,23-24H2,1-4H3,(H,25,33)(H,26,27)(H,28,34)(H,29,35).

What are the key properties of 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide?

4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 0.40, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 70120878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).