2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide

C21H18N4O2 — CID 92714356

IUPAC2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide
SMILESNC(=O)c1ccccc1N[C@@H]1c2ncccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H18N4O2/c22-19(26)15-9-4-5-11-17(15)24-20-18-16(10-6-12-23-18)21(27)25(20)13-14-7-2-1-3-8-14/h1-12,20,24H,13H2,(H2,22,26)/t20-/m0/s1
InChIKeyASTHEOWDQSDRSN-FQEVSTJZSA-N
MW358.40 g/mol
LogP2.95
Rot. Bonds5

About 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide

2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide (PubChem CID 92714356) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide
PubChem CID92714356
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide
SMILESNC(=O)c1ccccc1N[C@@H]1c2ncccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H18N4O2/c22-19(26)15-9-4-5-11-17(15)24-20-18-16(10-6-12-23-18)21(27)25(20)13-14-7-2-1-3-8-14/h1-12,20,24H,13H2,(H2,22,26)/t20-/m0/s1
InChIKeyASTHEOWDQSDRSN-FQEVSTJZSA-N
XLogP2.95
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide with MolForge

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Related Compounds

2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide
CID 22582261
methyl 2-[(6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl)amino]benzoate
CID 46359773
ethyl 2-[[(7S)-6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
CID 92713811
ethyl 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
CID 22582305
N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide
CID 92714418
ethyl 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]benzoate
CID 20866712
(7R)-6-benzyl-7-(3-methoxyanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714353
(7S)-6-benzyl-7-(3-methoxyanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714354
6-benzyl-7-(3-fluoro-4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20866653
(7R)-7-(4-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92666144
7-(2,4-dibromoanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20866747
7-(2-chloro-4-methylanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582066

Frequently Asked Questions

What is the IUPAC name of 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide?
The IUPAC name of 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide (CID 92714356) is 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide.
What is the SMILES notation for 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide?
The canonical SMILES for 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide is NC(=O)c1ccccc1N[C@@H]1c2ncccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide?
The InChIKey is ASTHEOWDQSDRSN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18N4O2/c22-19(26)15-9-4-5-11-17(15)24-20-18-16(10-6-12-23-18)21(27)25(20)13-14-7-2-1-3-8-14/h1-12,20,24H,13H2,(H2,22,26)/t20-/m0/s1.
What are the key properties of 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide?
2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide has a molecular weight of 358.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide is sourced from PubChem (CID 92714356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).