N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide

C22H22N4O2 — CID 53149037

About N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide

N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide (PubChem CID 53149037) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
• PubChem CID: 53149037
• Molecular Formula: C22H22N4O2
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.17
• IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
• SMILES: CCCn1c(-c2cccc(C(=O)NCc3ccc(C)o3)c2)nc2cccnc21
• InChI: InChI=1S/C22H22N4O2/c1-3-12-26-20(25-19-8-5-11-23-21(19)26)16-6-4-7-17(13-16)22(27)24-14-18-10-9-15(2)28-18/h4-11,13H,3,12,14H2,1-2H3,(H,24,27)
• InChIKey: LIJUFSZCSLNNCY-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?

The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide (CID 53149037) is N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide.

What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?

The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide is CCCn1c(-c2cccc(C(=O)NCc3ccc(C)o3)c2)nc2cccnc21.

What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?

The InChIKey is LIJUFSZCSLNNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-12-26-20(25-19-8-5-11-23-21(19)26)16-6-4-7-17(13-16)22(27)24-14-18-10-9-15(2)28-18/h4-11,13H,3,12,14H2,1-2H3,(H,24,27).

What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?

N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 53149037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).