N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide

C28H32N4O3 — CID 25059759

About N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide

N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide (PubChem CID 25059759) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
• PubChem CID: 25059759
• Molecular Formula: C28H32N4O3
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.25
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
• SMILES: CCc1cc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc(C(=O)N(C)CCN(C)C)c1O
• InChI: InChI=1S/C28H32N4O3/c1-6-18-13-19(14-23(26(18)33)28(34)32(4)12-11-31(2)3)20-15-22-24(17-30-27(22)29-16-20)21-9-7-8-10-25(21)35-5/h7-10,13-17,33H,6,11-12H2,1-5H3,(H,29,30)
• InChIKey: DGVXHHFMLLSRDG-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 81.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide (CID 25059759) is N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide is CCc1cc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc(C(=O)N(C)CCN(C)C)c1O.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?

The InChIKey is DGVXHHFMLLSRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-6-18-13-19(14-23(26(18)33)28(34)32(4)12-11-31(2)3)20-15-22-24(17-30-27(22)29-16-20)21-9-7-8-10-25(21)35-5/h7-10,13-17,33H,6,11-12H2,1-5H3,(H,29,30).

What are the key properties of N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?

N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide is sourced from PubChem (CID 25059759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).