4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide

C19H26N8O — CID 171099307

About 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide

4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide (PubChem CID 171099307) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide
• PubChem CID: 171099307
• Molecular Formula: C19H26N8O
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.22
• IUPAC Name: 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide
• SMILES: NCCc1cc(CNCCc2cnc[nH]2)nc(C(=O)NCCc2cnc[nH]2)c1
• InChI: InChI=1S/C19H26N8O/c20-4-1-14-7-17(11-21-5-2-15-9-22-12-25-15)27-18(8-14)19(28)24-6-3-16-10-23-13-26-16/h7-10,12-13,21H,1-6,11,20H2,(H,22,25)(H,23,26)(H,24,28)
• InChIKey: KPKXKUPBFAPYKD-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 137.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide?

The IUPAC name of 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide (CID 171099307) is 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide is NCCc1cc(CNCCc2cnc[nH]2)nc(C(=O)NCCc2cnc[nH]2)c1.

What is the InChIKey of 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide?

The InChIKey is KPKXKUPBFAPYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c20-4-1-14-7-17(11-21-5-2-15-9-22-12-25-15)27-18(8-14)19(28)24-6-3-16-10-23-13-26-16/h7-10,12-13,21H,1-6,11,20H2,(H,22,25)(H,23,26)(H,24,28).

What are the key properties of 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide?

4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 0.33, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 171099307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).