methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide

C31H32F3N5O2 — CID 156718248

About methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide

methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 156718248) has the molecular formula C31H32F3N5O2 and a molecular weight of 563.62 g/mol. Its IUPAC name is methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 156718248
• Molecular Formula: C31H32F3N5O2
• Molecular Weight: 563.62 g/mol
• Exact Mass: 563.25
• IUPAC Name: methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide
• SMILES: C#CC.CN.Cc1ccc(-c2nc(C(CNC(=O)c3cnc4ncccc4c3)C(F)(F)F)cc3c2OCC3C)cc1
• InChI: InChI=1S/C27H23F3N4O2.C3H4.CH5N/c1-15-5-7-17(8-6-15)23-24-20(16(2)14-36-24)11-22(34-23)21(27(28,29)30)13-33-26(35)19-10-18-4-3-9-31-25(18)32-12-19;1-3-2;1-2/h3-12,16,21H,13-14H2,1-2H3,(H,33,35);1H,2H3;2H2,1H3
• InChIKey: KXEDIMBSXFDCCP-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 103.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.62
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide?

The IUPAC name of methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide (CID 156718248) is methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide is C#CC.CN.Cc1ccc(-c2nc(C(CNC(=O)c3cnc4ncccc4c3)C(F)(F)F)cc3c2OCC3C)cc1.

What is the InChIKey of methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide?

The InChIKey is KXEDIMBSXFDCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O2.C3H4.CH5N/c1-15-5-7-17(8-6-15)23-24-20(16(2)14-36-24)11-22(34-23)21(27(28,29)30)13-33-26(35)19-10-18-4-3-9-31-25(18)32-12-19;1-3-2;1-2/h3-12,16,21H,13-14H2,1-2H3,(H,33,35);1H,2H3;2H2,1H3.

What are the key properties of methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide?

methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 563.62 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156718248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).