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

C20H20FN5O3 — CID 118183160

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

N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 118183160) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
• PubChem CID: 118183160
• Molecular Formula: C20H20FN5O3
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.16
• IUPAC Name: N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
• SMILES: CN1C(=O)C2=C(C1=O)N(CC(=O)NC1=CCC(c3cncc(F)c3)C=N1)CCC2
• InChI: InChI=1S/C20H20FN5O3/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/h5,7-10,12H,2-4,6,11H2,1H3,(H,24,27)
• InChIKey: KBAQJKPGYAGLJW-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 94.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?

The IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide (CID 118183160) is N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-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-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?

The canonical SMILES for N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-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)NC1=CCC(c3cncc(F)c3)C=N1)CCC2.

What is the InChIKey of N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?

The InChIKey is KBAQJKPGYAGLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/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/h5,7-10,12H,2-4,6,11H2,1H3,(H,24,27).

What are the key properties of N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?

N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 397.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyridin-6-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 118183160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).