N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C23H24FN3O4 — CID 69217806

IUPACN-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cc(F)cnc32)cc1
InChIInChI=1S/C23H24FN3O4/c1-31-17-9-7-14(8-10-17)13-27-21-18(11-15(24)12-25-21)20(28)19(23(27)30)22(29)26-16-5-3-2-4-6-16/h7-12,16,28H,2-6,13H2,1H3,(H,26,29)
InChIKeyUFERCVBAXCXQTF-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.36
Rot. Bonds5

About N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 69217806) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID69217806
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC NameN-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cc(F)cnc32)cc1
InChIInChI=1S/C23H24FN3O4/c1-31-17-9-7-14(8-10-17)13-27-21-18(11-15(24)12-25-21)20(28)19(23(27)30)22(29)26-16-5-3-2-4-6-16/h7-12,16,28H,2-6,13H2,1H3,(H,26,29)
InChIKeyUFERCVBAXCXQTF-UHFFFAOYSA-N
XLogP3.36
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 69217806) is N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cc(F)cnc32)cc1.
What is the InChIKey of N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is UFERCVBAXCXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-31-17-9-7-14(8-10-17)13-27-21-18(11-15(24)12-25-21)20(28)19(23(27)30)22(29)26-16-5-3-2-4-6-16/h7-12,16,28H,2-6,13H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-fluoro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 69217806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).