N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C19H17FN4O3 — CID 45167267

About N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 45167267) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
• PubChem CID: 45167267
• Molecular Formula: C19H17FN4O3
• Molecular Weight: 368.37 g/mol
• Exact Mass: 368.13
• IUPAC Name: N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
• SMILES: O=C1CCC(C(=O)NCC2Cc3cc(F)cc(-c4cccnc4)c3O2)=NN1
• InChI: InChI=1S/C19H17FN4O3/c20-13-6-12-7-14(10-22-19(26)16-3-4-17(25)24-23-16)27-18(12)15(8-13)11-2-1-5-21-9-11/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,22,26)(H,24,25)
• InChIKey: WEXUGRURSSQVOT-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 92.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.37
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The IUPAC name of N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 45167267) is N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

What is the SMILES notation for N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The canonical SMILES for N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCC2Cc3cc(F)cc(-c4cccnc4)c3O2)=NN1.

What is the InChIKey of N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The InChIKey is WEXUGRURSSQVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-13-6-12-7-14(10-22-19(26)16-3-4-17(25)24-23-16)27-18(12)15(8-13)11-2-1-5-21-9-11/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,22,26)(H,24,25).

What are the key properties of N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 45167267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).