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

C22H23FN4O4 — CID 54716309

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C22H23FN4O4/c23-16-3-1-14(2-4-16)11-15-12-17-19(25-13-15)20(28)18(22(30)26-17)21(29)24-5-6-27-7-9-31-10-8-27/h1-4,12-13H,5-11H2,(H,24,29)(H2,26,28,30)
InChIKeyPFSBXHMOTJFBIE-UHFFFAOYSA-N
MW426.45 g/mol
LogP1.42
Rot. Bonds6

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54716309) has the molecular formula C22H23FN4O4 and a molecular weight of 426.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54716309
Molecular FormulaC22H23FN4O4
Molecular Weight426.45 g/mol
Exact Mass426.17
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C22H23FN4O4/c23-16-3-1-14(2-4-16)11-15-12-17-19(25-13-15)20(28)18(22(30)26-17)21(29)24-5-6-27-7-9-31-10-8-27/h1-4,12-13H,5-11H2,(H,24,29)(H2,26,28,30)
InChIKeyPFSBXHMOTJFBIE-UHFFFAOYSA-N
XLogP1.42
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 54716309) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is PFSBXHMOTJFBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4/c23-16-3-1-14(2-4-16)11-15-12-17-19(25-13-15)20(28)18(22(30)26-17)21(29)24-5-6-27-7-9-31-10-8-27/h1-4,12-13H,5-11H2,(H,24,29)(H2,26,28,30).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54716309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).