6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C26H29FN4O4 — CID 166831224

IUPAC6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CC(NC(=O)c2c(O)c3cc(-c4ccc(F)cc4)cnc3n(CCN3CCOCC3)c2=O)C1
InChIInChI=1S/C26H29FN4O4/c1-16-12-20(13-16)29-25(33)22-23(32)21-14-18(17-2-4-19(27)5-3-17)15-28-24(21)31(26(22)34)7-6-30-8-10-35-11-9-30/h2-5,14-16,20,32H,6-13H2,1H3,(H,29,33)
InChIKeyGPYOYZUMTXZTGL-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.77
Rot. Bonds6

About 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831224) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831224
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC Name6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CC(NC(=O)c2c(O)c3cc(-c4ccc(F)cc4)cnc3n(CCN3CCOCC3)c2=O)C1
InChIInChI=1S/C26H29FN4O4/c1-16-12-20(13-16)29-25(33)22-23(32)21-14-18(17-2-4-19(27)5-3-17)15-28-24(21)31(26(22)34)7-6-30-8-10-35-11-9-30/h2-5,14-16,20,32H,6-13H2,1H3,(H,29,33)
InChIKeyGPYOYZUMTXZTGL-UHFFFAOYSA-N
XLogP2.77
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831224) is 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CC(NC(=O)c2c(O)c3cc(-c4ccc(F)cc4)cnc3n(CCN3CCOCC3)c2=O)C1.
What is the InChIKey of 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is GPYOYZUMTXZTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-16-12-20(13-16)29-25(33)22-23(32)21-14-18(17-2-4-19(27)5-3-17)15-28-24(21)31(26(22)34)7-6-30-8-10-35-11-9-30/h2-5,14-16,20,32H,6-13H2,1H3,(H,29,33).
What are the key properties of 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-hydroxy-N-(3-methylcyclobutyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).