4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C25H24N4O3 — CID 155431435

IUPAC4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)Cc1ccc(-c2cn(C)c(=O)c3[nH]c(C(=O)Nc4ccc(C=O)cc4)cc23)cc1
InChIInChI=1S/C25H24N4O3/c1-28(2)13-16-4-8-18(9-5-16)21-14-29(3)25(32)23-20(21)12-22(27-23)24(31)26-19-10-6-17(15-30)7-11-19/h4-12,14-15,27H,13H2,1-3H3,(H,26,31)
InChIKeyMLGNFLFHGSRJRR-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.66
Rot. Bonds6

About 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431435) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431435
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)Cc1ccc(-c2cn(C)c(=O)c3[nH]c(C(=O)Nc4ccc(C=O)cc4)cc23)cc1
InChIInChI=1S/C25H24N4O3/c1-28(2)13-16-4-8-18(9-5-16)21-14-29(3)25(32)23-20(21)12-22(27-23)24(31)26-19-10-6-17(15-30)7-11-19/h4-12,14-15,27H,13H2,1-3H3,(H,26,31)
InChIKeyMLGNFLFHGSRJRR-UHFFFAOYSA-N
XLogP3.66
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431435) is 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CN(C)Cc1ccc(-c2cn(C)c(=O)c3[nH]c(C(=O)Nc4ccc(C=O)cc4)cc23)cc1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is MLGNFLFHGSRJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-28(2)13-16-4-8-18(9-5-16)21-14-29(3)25(32)23-20(21)12-22(27-23)24(31)26-19-10-6-17(15-30)7-11-19/h4-12,14-15,27H,13H2,1-3H3,(H,26,31).
What are the key properties of 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).