5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

C24H34N4O — CID 53160698

IUPAC5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCCCC2)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H34N4O/c1-26-22-11-16-28(18-20-9-4-2-5-10-20)19-21(22)17-23(26)24(29)25-12-8-15-27-13-6-3-7-14-27/h2,4-5,9-10,17H,3,6-8,11-16,18-19H2,1H3,(H,25,29)
InChIKeyWHFGUXKETJGYGI-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.19
Rot. Bonds7

About 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160698) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160698
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCCCC2)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H34N4O/c1-26-22-11-16-28(18-20-9-4-2-5-10-20)19-21(22)17-23(26)24(29)25-12-8-15-27-13-6-3-7-14-27/h2,4-5,9-10,17H,3,6-8,11-16,18-19H2,1H3,(H,25,29)
InChIKeyWHFGUXKETJGYGI-UHFFFAOYSA-N
XLogP3.19
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160698) is 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cn1c(C(=O)NCCCN2CCCCC2)cc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is WHFGUXKETJGYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-26-22-11-16-28(18-20-9-4-2-5-10-20)19-21(22)17-23(26)24(29)25-12-8-15-27-13-6-3-7-14-27/h2,4-5,9-10,17H,3,6-8,11-16,18-19H2,1H3,(H,25,29).
What are the key properties of 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).