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

C29H23N3O4 — CID 155431652

IUPACN-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCc3ccc(C=O)cc3)[nH]c2c1=O
InChIInChI=1S/C29H23N3O4/c1-32-17-24(22-9-5-6-10-26(22)36-21-7-3-2-4-8-21)23-15-25(31-27(23)29(32)35)28(34)30-16-19-11-13-20(18-33)14-12-19/h2-15,17-18,31H,16H2,1H3,(H,30,34)
InChIKeyAKJOANGBBJHJOM-UHFFFAOYSA-N
MW477.52 g/mol
LogP5.07
Rot. Bonds7

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

N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431652) has the molecular formula C29H23N3O4 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431652
Molecular FormulaC29H23N3O4
Molecular Weight477.52 g/mol
Exact Mass477.17
IUPAC NameN-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCc3ccc(C=O)cc3)[nH]c2c1=O
InChIInChI=1S/C29H23N3O4/c1-32-17-24(22-9-5-6-10-26(22)36-21-7-3-2-4-8-21)23-15-25(31-27(23)29(32)35)28(34)30-16-19-11-13-20(18-33)14-12-19/h2-15,17-18,31H,16H2,1H3,(H,30,34)
InChIKeyAKJOANGBBJHJOM-UHFFFAOYSA-N
XLogP5.07
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431230
4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431250
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-4-(2-methylphenyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431199
4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431435
methyl 4-[[[4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbonyl]amino]methyl]benzoate
CID 155431640
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-(4-chlorophenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431419
4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 87055220
4-[4-[benzyl-[(4-chlorophenyl)methyl]carbamoyl]-2-(2,6-dimethylphenoxy)phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 87055138
ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine
CID 168980432
4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 162356428
N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(2-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431201
N-[(4-naphthalen-1-yloxyphenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 155944777

Frequently Asked Questions

What is the IUPAC name of N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431652) is N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCc3ccc(C=O)cc3)[nH]c2c1=O.
What is the InChIKey of N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is AKJOANGBBJHJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4/c1-32-17-24(22-9-5-6-10-26(22)36-21-7-3-2-4-8-21)23-15-25(31-27(23)29(32)35)28(34)30-16-19-11-13-20(18-33)14-12-19/h2-15,17-18,31H,16H2,1H3,(H,30,34).
What are the key properties of N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).