N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C20H22N4O3 — CID 72862412

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72862412) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• PubChem CID: 72862412
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• SMILES: COc1nc2c(cc1C(=O)NCc1ccc3c(c1)n(C)c(=O)n3C)CCC2
• InChI: InChI=1S/C20H22N4O3/c1-23-16-8-7-12(9-17(16)24(2)20(23)26)11-21-18(25)14-10-13-5-4-6-15(13)22-19(14)27-3/h7-10H,4-6,11H2,1-3H3,(H,21,25)
• InChIKey: KPAKVFUIAWNGKT-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72862412) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NCc1ccc3c(c1)n(C)c(=O)n3C)CCC2.

What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The InChIKey is KPAKVFUIAWNGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-23-16-8-7-12(9-17(16)24(2)20(23)26)11-21-18(25)14-10-13-5-4-6-15(13)22-19(14)27-3/h7-10H,4-6,11H2,1-3H3,(H,21,25).

What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72862412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).