2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide

C24H25N5O2 — CID 142606694

About 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide

2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 142606694) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

• Compound Name: 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide
• PubChem CID: 142606694
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide
• SMILES: Cc1c[nH]c2nccc(Oc3cccc(CC(N)C(=O)NCCc4ccncc4)c3)c12
• InChI: InChI=1S/C24H25N5O2/c1-16-15-29-23-22(16)21(8-12-27-23)31-19-4-2-3-18(13-19)14-20(25)24(30)28-11-7-17-5-9-26-10-6-17/h2-6,8-10,12-13,15,20H,7,11,14,25H2,1H3,(H,27,29)(H,28,30)
• InChIKey: MAVJEGQQPBSKJJ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 105.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide?

The IUPAC name of 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide (CID 142606694) is 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide.

What is the SMILES notation for 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide?

The canonical SMILES for 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide is Cc1c[nH]c2nccc(Oc3cccc(CC(N)C(=O)NCCc4ccncc4)c3)c12.

What is the InChIKey of 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide?

The InChIKey is MAVJEGQQPBSKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-15-29-23-22(16)21(8-12-27-23)31-19-4-2-3-18(13-19)14-20(25)24(30)28-11-7-17-5-9-26-10-6-17/h2-6,8-10,12-13,15,20H,7,11,14,25H2,1H3,(H,27,29)(H,28,30).

What are the key properties of 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide?

2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 415.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 142606694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).