1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile

C17H18N4O — CID 658105

IUPAC1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile
SMILESCN(C)c1[nH]c(=O)c(C#N)c2c1CCN2Cc1ccccc1
InChIInChI=1S/C17H18N4O/c1-20(2)16-13-8-9-21(11-12-6-4-3-5-7-12)15(13)14(10-18)17(22)19-16/h3-7H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyGNHCWPDUQPKJES-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.88
Rot. Bonds3

About 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile

1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile (PubChem CID 658105) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile
PubChem CID658105
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile
SMILESCN(C)c1[nH]c(=O)c(C#N)c2c1CCN2Cc1ccccc1
InChIInChI=1S/C17H18N4O/c1-20(2)16-13-8-9-21(11-12-6-4-3-5-7-12)15(13)14(10-18)17(22)19-16/h3-7H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyGNHCWPDUQPKJES-UHFFFAOYSA-N
XLogP1.88
TPSA63.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile (CID 658105) is 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile is CN(C)c1[nH]c(=O)c(C#N)c2c1CCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile?
The InChIKey is GNHCWPDUQPKJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-20(2)16-13-8-9-21(11-12-6-4-3-5-7-12)15(13)14(10-18)17(22)19-16/h3-7H,8-9,11H2,1-2H3,(H,19,22).
What are the key properties of 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile?
1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 658105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).