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

C20H18FN5O3 — CID 118174168

IUPACN-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
SMILESCN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cncc(F)c3)cn1)CCC2
InChIInChI=1S/C20H18FN5O3/c1-25-19(28)15-3-2-6-26(18(15)20(25)29)11-17(27)24-16-5-4-12(9-23-16)13-7-14(21)10-22-8-13/h4-5,7-10H,2-3,6,11H2,1H3,(H,23,24,27)
InChIKeyDVKNLIRIGMPKHF-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.57
Rot. Bonds4

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

N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 118174168) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID118174168
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC NameN-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
SMILESCN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cncc(F)c3)cn1)CCC2
InChIInChI=1S/C20H18FN5O3/c1-25-19(28)15-3-2-6-26(18(15)20(25)29)11-17(27)24-16-5-4-12(9-23-16)13-7-14(21)10-22-8-13/h4-5,7-10H,2-3,6,11H2,1H3,(H,23,24,27)
InChIKeyDVKNLIRIGMPKHF-UHFFFAOYSA-N
XLogP1.57
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide (CID 118174168) is N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide is CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cncc(F)c3)cn1)CCC2.
What is the InChIKey of N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is DVKNLIRIGMPKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-25-19(28)15-3-2-6-26(18(15)20(25)29)11-17(27)24-16-5-4-12(9-23-16)13-7-14(21)10-22-8-13/h4-5,7-10H,2-3,6,11H2,1H3,(H,23,24,27).
What are the key properties of N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 395.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 118174168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).