4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide

C28H38N8O5 — CID 3009895

About 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide

4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide (PubChem CID 3009895) has the molecular formula C28H38N8O5 and a molecular weight of 566.66 g/mol. Its IUPAC name is 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide
• PubChem CID: 3009895
• Molecular Formula: C28H38N8O5
• Molecular Weight: 566.66 g/mol
• Exact Mass: 566.30
• IUPAC Name: 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide
• SMILES: CC(C)n1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCN2CCOCC2)n(C)c1
• InChI: InChI=1S/C28H38N8O5/c1-19(2)36-17-22(32-27(39)24-12-20(30-18-37)15-33(24)3)14-25(36)28(40)31-21-13-23(34(4)16-21)26(38)29-6-5-7-35-8-10-41-11-9-35/h12-19H,5-11H2,1-4H3,(H,29,38)(H,30,37)(H,31,40)(H,32,39)
• InChIKey: SBIMIOIAVSUWOV-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 143.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.66
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide?

The IUPAC name of 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide (CID 3009895) is 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide.

What is the SMILES notation for 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide?

The canonical SMILES for 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide is CC(C)n1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCN2CCOCC2)n(C)c1.

What is the InChIKey of 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide?

The InChIKey is SBIMIOIAVSUWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N8O5/c1-19(2)36-17-22(32-27(39)24-12-20(30-18-37)15-33(24)3)14-25(36)28(40)31-21-13-23(34(4)16-21)26(38)29-6-5-7-35-8-10-41-11-9-35/h12-19H,5-11H2,1-4H3,(H,29,38)(H,30,37)(H,31,40)(H,32,39).

What are the key properties of 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide?

4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide has a molecular weight of 566.66 g/mol, XLogP of 2.27, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-formamido-1-methyl-N-[5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 3009895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).