2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C24H21F4N3O4 — CID 176996390

About 2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 176996390) has the molecular formula C24H21F4N3O4 and a molecular weight of 491.44 g/mol. Its IUPAC name is 2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
• PubChem CID: 176996390
• Molecular Formula: C24H21F4N3O4
• Molecular Weight: 491.44 g/mol
• Exact Mass: 491.15
• IUPAC Name: 2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
• SMILES: C[C@]1(C(F)(F)F)C[C@@H](c2ccc(F)c3c2COC3)[C@H](c2cc(=O)c3c(C(N)=O)nccc3[nH]2)CO1
• InChI: InChI=1S/C24H21F4N3O4/c1-23(24(26,27)28)7-12(11-2-3-16(25)14-9-34-8-13(11)14)15(10-35-23)18-6-19(32)20-17(31-18)4-5-30-21(20)22(29)33/h2-6,12,15H,7-10H2,1H3,(H2,29,33)(H,31,32)/t12-,15+,23+/m0/s1
• InChIKey: MKEUQMMTXJKQTG-LBPTUWICSA-N
• XLogP: 3.80
• TPSA: 107.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.44
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 176996390) is 2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

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

The canonical SMILES for 2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is C[C@]1(C(F)(F)F)C[C@@H](c2ccc(F)c3c2COC3)[C@H](c2cc(=O)c3c(C(N)=O)nccc3[nH]2)CO1.

What is the InChIKey of 2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The InChIKey is MKEUQMMTXJKQTG-LBPTUWICSA-N. The full InChI is InChI=1S/C24H21F4N3O4/c1-23(24(26,27)28)7-12(11-2-3-16(25)14-9-34-8-13(11)14)15(10-35-23)18-6-19(32)20-17(31-18)4-5-30-21(20)22(29)33/h2-6,12,15H,7-10H2,1H3,(H2,29,33)(H,31,32)/t12-,15+,23+/m0/s1.

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

2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 491.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R,4R,6R)-4-(7-fluoro-1,3-dihydro-2-benzofuran-4-yl)-6-methyl-6-(trifluoromethyl)oxan-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 176996390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).