7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide

C18H16FN3O4 — CID 69480267

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C18H16FN3O4/c19-12-3-1-10(2-4-12)7-11-8-13-15(21-9-11)16(24)14(18(26)22-13)17(25)20-5-6-23/h1-4,8-9,23H,5-7H2,(H,20,25)(H2,22,24,26)
InChIKeyVNZXVEIWQGWCSN-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.08
Rot. Bonds5

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 69480267) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID69480267
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C18H16FN3O4/c19-12-3-1-10(2-4-12)7-11-8-13-15(21-9-11)16(24)14(18(26)22-13)17(25)20-5-6-23/h1-4,8-9,23H,5-7H2,(H,20,25)(H2,22,24,26)
InChIKeyVNZXVEIWQGWCSN-UHFFFAOYSA-N
XLogP1.08
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 69480267) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is VNZXVEIWQGWCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c19-12-3-1-10(2-4-12)7-11-8-13-15(21-9-11)16(24)14(18(26)22-13)17(25)20-5-6-23/h1-4,8-9,23H,5-7H2,(H,20,25)(H2,22,24,26).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).