1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C23H24FN3O4 — CID 166831581

IUPAC1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C23H24FN3O4/c24-16-8-6-15(7-9-16)13-27-20-17(5-4-12-25-20)19(29)18(22(27)31)21(30)26-23(14-28)10-2-1-3-11-23/h4-9,12,28-29H,1-3,10-11,13-14H2,(H,26,30)
InChIKeyPQHSBKBLMDZLTK-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.71
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831581) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831581
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C23H24FN3O4/c24-16-8-6-15(7-9-16)13-27-20-17(5-4-12-25-20)19(29)18(22(27)31)21(30)26-23(14-28)10-2-1-3-11-23/h4-9,12,28-29H,1-3,10-11,13-14H2,(H,26,30)
InChIKeyPQHSBKBLMDZLTK-UHFFFAOYSA-N
XLogP2.71
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831581) is 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC1(CO)CCCCC1)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is PQHSBKBLMDZLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c24-16-8-6-15(7-9-16)13-27-20-17(5-4-12-25-20)19(29)18(22(27)31)21(30)26-23(14-28)10-2-1-3-11-23/h4-9,12,28-29H,1-3,10-11,13-14H2,(H,26,30).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).