N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide

C22H20N4O2 — CID 92714418

IUPACN-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2c3ncccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N4O2/c1-15(27)24-17-9-11-18(12-10-17)25-21-20-19(8-5-13-23-20)22(28)26(21)14-16-6-3-2-4-7-16/h2-13,21,25H,14H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyYKSXTQCCFWYJNO-NRFANRHFSA-N
MW372.43 g/mol
LogP3.81
Rot. Bonds5

About N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide

N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide (PubChem CID 92714418) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide
PubChem CID92714418
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2c3ncccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N4O2/c1-15(27)24-17-9-11-18(12-10-17)25-21-20-19(8-5-13-23-20)22(28)26(21)14-16-6-3-2-4-7-16/h2-13,21,25H,14H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyYKSXTQCCFWYJNO-NRFANRHFSA-N
XLogP3.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide
CID 46256528
(7R)-7-(4-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92666144
6-benzyl-7-(3-fluoro-4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20866653
methyl 2-[(6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl)amino]benzoate
CID 46359773
(7S)-6-benzyl-7-(3-methoxyanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714354
(7R)-6-benzyl-7-(3-methoxyanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714353
methyl 4-[[(7S)-6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
CID 92713801
2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide
CID 92714356
7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582297
7-(4-acetylanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 126458358
(7S)-7-(3,4-difluoroanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92713773
3-(4-acetylanilino)-2-benzyl-3H-isoindol-1-one
CID 20866635

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide (CID 92714418) is N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N[C@@H]2c3ncccc3C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide?
The InChIKey is YKSXTQCCFWYJNO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(27)24-17-9-11-18(12-10-17)25-21-20-19(8-5-13-23-20)22(28)26(21)14-16-6-3-2-4-7-16/h2-13,21,25H,14H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide?
N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide is sourced from PubChem (CID 92714418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).