1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide

C23H25FN4O5 — CID 69482277

About 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide

1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482277) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482277
• Molecular Formula: C23H25FN4O5
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.18
• IUPAC Name: 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: CC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O
• InChI: InChI=1S/C23H25FN4O5/c1-13(12-29)26-22(32)19-21(31)20-17(28(23(19)33)11-18(30)27(2)3)9-15(10-25-20)8-14-4-6-16(24)7-5-14/h4-7,9-10,13,29,31H,8,11-12H2,1-3H3,(H,26,32)
• InChIKey: OBABQJQXEVNKNB-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 124.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482277) is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide is CC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O.

What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The InChIKey is OBABQJQXEVNKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5/c1-13(12-29)26-22(32)19-21(31)20-17(28(23(19)33)11-18(30)27(2)3)9-15(10-25-20)8-14-4-6-16(24)7-5-14/h4-7,9-10,13,29,31H,8,11-12H2,1-3H3,(H,26,32).

What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?

1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).