N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C21H19N5O2 — CID 121411865

About N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121411865) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 121411865
• Molecular Formula: C21H19N5O2
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.15
• IUPAC Name: N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2[nH]c3c(CO)ccnc3c2-c2cccc(C)n2)ccn1
• InChI: InChI=1S/C21H19N5O2/c1-12-4-3-5-16(24-12)18-19(14-6-8-22-17(10-14)25-13(2)28)26-20-15(11-27)7-9-23-21(18)20/h3-10,26-27H,11H2,1-2H3,(H,22,25,28)
• InChIKey: ANBVRTZIZJYYRB-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 103.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121411865) is N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3c(CO)ccnc3c2-c2cccc(C)n2)ccn1.

What is the InChIKey of N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is ANBVRTZIZJYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-12-4-3-5-16(24-12)18-19(14-6-8-22-17(10-14)25-13(2)28)26-20-15(11-27)7-9-23-21(18)20/h3-10,26-27H,11H2,1-2H3,(H,22,25,28).

What are the key properties of N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).