N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide

C25H27FN4O6 — CID 69482473

About N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide

N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 69482473) has the molecular formula C25H27FN4O6 and a molecular weight of 498.51 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482473
• Molecular Formula: C25H27FN4O6
• Molecular Weight: 498.51 g/mol
• Exact Mass: 498.19
• IUPAC Name: N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
• SMILES: O=C(NC(CO)CO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCC2=O)c1=O
• InChI: InChI=1S/C25H27FN4O6/c26-17-5-3-15(4-6-17)10-16-11-19-22(27-12-16)23(34)21(24(35)28-18(13-31)14-32)25(36)30(19)9-8-29-7-1-2-20(29)33/h3-6,11-12,18,31-32,34H,1-2,7-10,13-14H2,(H,28,35)
• InChIKey: OUQDQLUVLOINLB-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 144.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.51
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (CID 69482473) is N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.

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

The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is O=C(NC(CO)CO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCC2=O)c1=O.

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

The InChIKey is OUQDQLUVLOINLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O6/c26-17-5-3-15(4-6-17)10-16-11-19-22(27-12-16)23(34)21(24(35)28-18(13-31)14-32)25(36)30(19)9-8-29-7-1-2-20(29)33/h3-6,11-12,18,31-32,34H,1-2,7-10,13-14H2,(H,28,35).

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

N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 0.54, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).