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

C23H32N4O2 — CID 53160674

IUPAC5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCOCC2)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H32N4O2/c1-25-21-8-11-27(17-19-6-3-2-4-7-19)18-20(21)16-22(25)23(28)24-9-5-10-26-12-14-29-15-13-26/h2-4,6-7,16H,5,8-15,17-18H2,1H3,(H,24,28)
InChIKeyXSVJIMVMKMAHKG-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.04
Rot. Bonds7

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

5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160674) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160674
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCOCC2)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H32N4O2/c1-25-21-8-11-27(17-19-6-3-2-4-7-19)18-20(21)16-22(25)23(28)24-9-5-10-26-12-14-29-15-13-26/h2-4,6-7,16H,5,8-15,17-18H2,1H3,(H,24,28)
InChIKeyXSVJIMVMKMAHKG-UHFFFAOYSA-N
XLogP2.04
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160674) is 5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cn1c(C(=O)NCCCN2CCOCC2)cc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is XSVJIMVMKMAHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-25-21-8-11-27(17-19-6-3-2-4-7-19)18-20(21)16-22(25)23(28)24-9-5-10-26-12-14-29-15-13-26/h2-4,6-7,16H,5,8-15,17-18H2,1H3,(H,24,28).
What are the key properties of 5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).