N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C19H16N6O — CID 121412061

About N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121412061) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 121412061
• Molecular Formula: C19H16N6O
• Molecular Weight: 344.38 g/mol
• Exact Mass: 344.14
• IUPAC Name: N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2nccc(C)n2)ccn1
• InChI: InChI=1S/C19H16N6O/c1-11-5-8-22-19(23-11)16-17(25-14-4-3-7-21-18(14)16)13-6-9-20-15(10-13)24-12(2)26/h3-10,25H,1-2H3,(H,20,24,26)
• InChIKey: LOEVDEFEFCOKFM-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.38
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121412061) is N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

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

The canonical SMILES for N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2nccc(C)n2)ccn1.

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

The InChIKey is LOEVDEFEFCOKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-11-5-8-22-19(23-11)16-17(25-14-4-3-7-21-18(14)16)13-6-9-20-15(10-13)24-12(2)26/h3-10,25H,1-2H3,(H,20,24,26).

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

N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 344.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121412061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).