N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide

C22H21N5O — CID 70775168

About N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide

N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide (PubChem CID 70775168) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
• PubChem CID: 70775168
• Molecular Formula: C22H21N5O
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.17
• IUPAC Name: N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
• SMILES: CNC(=O)Cc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1
• InChI: InChI=1S/C22H21N5O/c1-23-21(28)11-15-4-6-17(7-5-15)19-12-20(27-22-18(19)8-10-25-22)26-14-16-3-2-9-24-13-16/h2-10,12-13H,11,14H2,1H3,(H,23,28)(H2,25,26,27)
• InChIKey: MBTQTMFTVOADNP-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?

The IUPAC name of N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide (CID 70775168) is N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?

The canonical SMILES for N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide is CNC(=O)Cc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1.

What is the InChIKey of N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?

The InChIKey is MBTQTMFTVOADNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-23-21(28)11-15-4-6-17(7-5-15)19-12-20(27-22-18(19)8-10-25-22)26-14-16-3-2-9-24-13-16/h2-10,12-13H,11,14H2,1H3,(H,23,28)(H2,25,26,27).

What are the key properties of N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?

N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 70775168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).