2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

C21H24N4OS — CID 166211283

About 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 166211283) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
• PubChem CID: 166211283
• Molecular Formula: C21H24N4OS
• Molecular Weight: 380.52 g/mol
• Exact Mass: 380.17
• IUPAC Name: 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
• SMILES: CC(C(=O)NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1
• InChI: InChI=1S/C21H24N4OS/c1-15(21(26)23-10-6-17-4-3-13-27-17)25-11-7-16(8-12-25)19-14-24-20-18(19)5-2-9-22-20/h2-5,7,9,13-15H,6,8,10-12H2,1H3,(H,22,24)(H,23,26)
• InChIKey: MGFXYCRNGBQYNP-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.52
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?

The IUPAC name of 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (CID 166211283) is 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.

What is the SMILES notation for 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?

The canonical SMILES for 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is CC(C(=O)NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1.

What is the InChIKey of 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?

The InChIKey is MGFXYCRNGBQYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15(21(26)23-10-6-17-4-3-13-27-17)25-11-7-16(8-12-25)19-14-24-20-18(19)5-2-9-22-20/h2-5,7,9,13-15H,6,8,10-12H2,1H3,(H,22,24)(H,23,26).

What are the key properties of 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?

2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 380.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 166211283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).