1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid

C24H30N4O8 — CID 19826093

About 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid

1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 19826093) has the molecular formula C24H30N4O8 and a molecular weight of 502.52 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

• Compound Name: 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
• PubChem CID: 19826093
• Molecular Formula: C24H30N4O8
• Molecular Weight: 502.52 g/mol
• Exact Mass: 502.21
• IUPAC Name: 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
• SMILES: CC(Cc1c[nH]c2ccccc12)NCC(O)c1ccc(N)nc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
• InChI: InChI=1S/C18H22N4O.C6H8O7/c1-12(8-14-10-21-16-5-3-2-4-15(14)16)20-11-17(23)13-6-7-18(19)22-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,9-10,12,17,20-21,23H,8,11H2,1H3,(H2,19,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: UIGFPLDLEPHCNH-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 219.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.52
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid?

The IUPAC name of 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 19826093) is 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid.

What is the SMILES notation for 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid?

The canonical SMILES for 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid is CC(Cc1c[nH]c2ccccc12)NCC(O)c1ccc(N)nc1.O=C(O)CC(O)(CC(=O)O)C(=O)O.

What is the InChIKey of 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid?

The InChIKey is UIGFPLDLEPHCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.C6H8O7/c1-12(8-14-10-21-16-5-3-2-4-15(14)16)20-11-17(23)13-6-7-18(19)22-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,9-10,12,17,20-21,23H,8,11H2,1H3,(H2,19,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).

What are the key properties of 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid?

1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 502.52 g/mol, XLogP of 1.15, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 19826093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).