2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide

C22H22N4O3 — CID 118174120

IUPAC2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide
SMILESCc1cccc(-c2ccc(NC(=O)CN3CCCC4=C3C(=O)N(C)C4=O)cn2)c1
InChIInChI=1S/C22H22N4O3/c1-14-5-3-6-15(11-14)18-9-8-16(12-23-18)24-19(27)13-26-10-4-7-17-20(26)22(29)25(2)21(17)28/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,24,27)
InChIKeyQOQQDPOOMXGHKE-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.34
Rot. Bonds4

About 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide (PubChem CID 118174120) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide
PubChem CID118174120
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide
SMILESCc1cccc(-c2ccc(NC(=O)CN3CCCC4=C3C(=O)N(C)C4=O)cn2)c1
InChIInChI=1S/C22H22N4O3/c1-14-5-3-6-15(11-14)18-9-8-16(12-23-18)24-19(27)13-26-10-4-7-17-20(26)22(29)25(2)21(17)28/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,24,27)
InChIKeyQOQQDPOOMXGHKE-UHFFFAOYSA-N
XLogP2.34
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 118174089
2-(3-methylphenyl)-N-pyridin-3-ylacetamide
CID 6467227
N-(4-Ethylphenyl)-2-{4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}acetamide
CID 16018022
(E)-3-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-N-methylprop-2-enamide
CID 168294910
Cambridge id 7111576
CID 2174265
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986253
3-[[1-(3-Methylbut-2-enyl)indol-3-yl]methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 10959141
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(pyridin-3-yl)acetamide
CID 1147586

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide (CID 118174120) is 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide is Cc1cccc(-c2ccc(NC(=O)CN3CCCC4=C3C(=O)N(C)C4=O)cn2)c1.
What is the InChIKey of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide?
The InChIKey is QOQQDPOOMXGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-5-3-6-15(11-14)18-9-8-16(12-23-18)24-19(27)13-26-10-4-7-17-20(26)22(29)25(2)21(17)28/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,24,27).
What are the key properties of 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide?
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 118174120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).