N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide

C23H21N3O2 — CID 71839590

IUPACN-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide
SMILESCc1ccc(CNC(=O)CC2c3ncccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16-9-11-17(12-10-16)15-25-21(27)14-20-22-19(8-5-13-24-22)23(28)26(20)18-6-3-2-4-7-18/h2-13,20H,14-15H2,1H3,(H,25,27)
InChIKeyAYXLRHKPFHKZTF-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.80
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide

N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide (PubChem CID 71839590) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide
PubChem CID71839590
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide
SMILESCc1ccc(CNC(=O)CC2c3ncccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16-9-11-17(12-10-16)15-25-21(27)14-20-22-19(8-5-13-24-22)23(28)26(20)18-6-3-2-4-7-18/h2-13,20H,14-15H2,1H3,(H,25,27)
InChIKeyAYXLRHKPFHKZTF-UHFFFAOYSA-N
XLogP3.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839544
N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839482
N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839534
N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839489
N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839563
2-[(7S)-6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 95114148
2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
CID 53213909
N-(3-methylbutyl)-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839476
7-[2-(azepan-1-yl)-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839582
(7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114134
6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839530
2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide
CID 53201076

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide (CID 71839590) is N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide is Cc1ccc(CNC(=O)CC2c3ncccc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide?
The InChIKey is AYXLRHKPFHKZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-9-11-17(12-10-16)15-25-21(27)14-20-22-19(8-5-13-24-22)23(28)26(20)18-6-3-2-4-7-18/h2-13,20H,14-15H2,1H3,(H,25,27).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide?
N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide is sourced from PubChem (CID 71839590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).