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

C19H18FN3O4 — CID 69481008

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C19H18FN3O4/c1-10(24)8-22-18(26)15-17(25)16-14(23-19(15)27)7-12(9-21-16)6-11-2-4-13(20)5-3-11/h2-5,7,9-10,24H,6,8H2,1H3,(H,22,26)(H2,23,25,27)/t10-/m0/s1
InChIKeyGJVSFGHPHYFQLR-JTQLQIEISA-N
MW371.37 g/mol
LogP1.47
Rot. Bonds5

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 69481008) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID69481008
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C19H18FN3O4/c1-10(24)8-22-18(26)15-17(25)16-14(23-19(15)27)7-12(9-21-16)6-11-2-4-13(20)5-3-11/h2-5,7,9-10,24H,6,8H2,1H3,(H,22,26)(H2,23,25,27)/t10-/m0/s1
InChIKeyGJVSFGHPHYFQLR-JTQLQIEISA-N
XLogP1.47
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.47
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-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 69481008) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide is C[C@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is GJVSFGHPHYFQLR-JTQLQIEISA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-10(24)8-22-18(26)15-17(25)16-14(23-19(15)27)7-12(9-21-16)6-11-2-4-13(20)5-3-11/h2-5,7,9-10,24H,6,8H2,1H3,(H,22,26)(H2,23,25,27)/t10-/m0/s1.
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 1.47, 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-[(2S)-2-hydroxypropyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69481008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).