1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

C23H32N4O — CID 53160740

About 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160740) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
• PubChem CID: 53160740
• Molecular Formula: C23H32N4O
• Molecular Weight: 380.54 g/mol
• Exact Mass: 380.26
• IUPAC Name: 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
• SMILES: Cc1ccc(CN2CCc3c(cc(C(=O)NCCN4CCCC4)n3C)C2)cc1
• InChI: InChI=1S/C23H32N4O/c1-18-5-7-19(8-6-18)16-27-13-9-21-20(17-27)15-22(25(21)2)23(28)24-10-14-26-11-3-4-12-26/h5-8,15H,3-4,9-14,16-17H2,1-2H3,(H,24,28)
• InChIKey: SOPGTQOLURLIJX-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 40.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.54
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160740) is 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cc1ccc(CN2CCc3c(cc(C(=O)NCCN4CCCC4)n3C)C2)cc1.

What is the InChIKey of 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The InChIKey is SOPGTQOLURLIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18-5-7-19(8-6-18)16-27-13-9-21-20(17-27)15-22(25(21)2)23(28)24-10-14-26-11-3-4-12-26/h5-8,15H,3-4,9-14,16-17H2,1-2H3,(H,24,28).

What are the key properties of 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?

1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).