formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide

C29H28IN5O3 — CID 142070217

About formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide

formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide (PubChem CID 142070217) has the molecular formula C29H28IN5O3 and a molecular weight of 621.48 g/mol. Its IUPAC name is formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide.

Molecular Properties

• Compound Name: formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide
• PubChem CID: 142070217
• Molecular Formula: C29H28IN5O3
• Molecular Weight: 621.48 g/mol
• Exact Mass: 621.12
• IUPAC Name: formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide
• SMILES: I.NC=O.O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CC(CN1CCCC1)C3
• InChI: InChI=1S/C28H24N4O2.CH3NO.HI/c33-27-22-20-17-7-1-2-9-19(17)29-24(20)26-21(23(22)28(34)30-27)18-8-5-6-16-12-15(14-32(26)25(16)18)13-31-10-3-4-11-31;2-1-3;/h1-2,5-9,15,29H,3-4,10-14H2,(H,30,33,34);1H,(H2,2,3);1H
• InChIKey: DJJVXRWFVKCLTL-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 113.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.48
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide?

The IUPAC name of formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide (CID 142070217) is formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide.

What is the SMILES notation for formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide?

The canonical SMILES for formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide is I.NC=O.O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CC(CN1CCCC1)C3.

What is the InChIKey of formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide?

The InChIKey is DJJVXRWFVKCLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2.CH3NO.HI/c33-27-22-20-17-7-1-2-9-19(17)29-24(20)26-21(23(22)28(34)30-27)18-8-5-6-16-12-15(14-32(26)25(16)18)13-31-10-3-4-11-31;2-1-3;/h1-2,5-9,15,29H,3-4,10-14H2,(H,30,33,34);1H,(H2,2,3);1H.

What are the key properties of formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide?

formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide has a molecular weight of 621.48 g/mol, XLogP of 4.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for formamide;24-(pyrrolidin-1-ylmethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione;hydroiodide is sourced from PubChem (CID 142070217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).