5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid

C25H20FN3O4 — CID 23149776

IUPAC5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C25H20FN3O4/c1-15(30)28-24-20-12-18(11-16-7-9-19(26)10-8-16)13-27-21(20)23(22(29-24)25(31)32)33-14-17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyHIJRQOIVRDWVGB-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.60
Rot. Bonds7

About 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid

5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (PubChem CID 23149776) has the molecular formula C25H20FN3O4 and a molecular weight of 445.45 g/mol. Its IUPAC name is 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
PubChem CID23149776
Molecular FormulaC25H20FN3O4
Molecular Weight445.45 g/mol
Exact Mass445.14
IUPAC Name5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C25H20FN3O4/c1-15(30)28-24-20-12-18(11-16-7-9-19(26)10-8-16)13-27-21(20)23(22(29-24)25(31)32)33-14-17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyHIJRQOIVRDWVGB-UHFFFAOYSA-N
XLogP4.60
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]amino]-2-oxo-acetate
CID 135869513
(3,5-Difluorophenyl)methyl 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 57402496
17-Fluoro-9-hydroxy-20-oxa-1,7,12,26,31-pentazapentacyclo[24.2.2.12,10.03,8.014,19]hentriaconta-2(31),3(8),4,6,9,14(19),15,17-octaene-11,25-dione
CID 51356719
US20240116947, Example 44
CID 171419225
1-Methoxypropan-2-yl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 9976415
Methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate
CID 10069837
(1-Acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10093767
Methyl 5-acetamido-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10384451
N-(4-fluorobenzyl)-6-methoxy-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-2,3-dihydro-1H-pyrimido[4,5,6-de]-1,6-naphthyridine-5-carboxamide
CID 22346264
5-[[(dimethylamino)carbonyl](methyl)amino]-N-(4-fluorobenzyl)-8-methoxy-1,6-naphthyridine-7-carboxamide
CID 22346324
2-O-[7-[(4-fluorophenyl)methylcarbamoyl]-5-[(2-methoxy-2-oxoacetyl)-methylamino]-1,6-naphthyridin-8-yl] 1-O-methyl oxalate
CID 22346325
N-(4-fluorobenzyl)-8-methoxy-5-(methylamino)-1,6-naphthyridine-7-carboxamide
CID 22346362

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (CID 23149776) is 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is CC(=O)Nc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is HIJRQOIVRDWVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4/c1-15(30)28-24-20-12-18(11-16-7-9-19(26)10-8-16)13-27-21(20)23(22(29-24)25(31)32)33-14-17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,31,32)(H,28,29,30).
What are the key properties of 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 445.45 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 23149776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).