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

C20H20FN3O4 — CID 69481025

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O
InChIInChI=1S/C20H20FN3O4/c1-11(10-25)23-19(27)16-18(26)17-15(24(2)20(16)28)8-13(9-22-17)7-12-3-5-14(21)6-4-12/h3-6,8-9,11,25-26H,7,10H2,1-2H3,(H,23,27)/t11-/m0/s1
InChIKeyCEHXEXNUZXZFBO-NSHDSACASA-N
MW385.40 g/mol
LogP1.48
Rot. Bonds5

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69481025) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69481025
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O
InChIInChI=1S/C20H20FN3O4/c1-11(10-25)23-19(27)16-18(26)17-15(24(2)20(16)28)8-13(9-22-17)7-12-3-5-14(21)6-4-12/h3-6,8-9,11,25-26H,7,10H2,1-2H3,(H,23,27)/t11-/m0/s1
InChIKeyCEHXEXNUZXZFBO-NSHDSACASA-N
XLogP1.48
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.48
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-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69481025) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is C[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is CEHXEXNUZXZFBO-NSHDSACASA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-11(10-25)23-19(27)16-18(26)17-15(24(2)20(16)28)8-13(9-22-17)7-12-3-5-14(21)6-4-12/h3-6,8-9,11,25-26H,7,10H2,1-2H3,(H,23,27)/t11-/m0/s1.
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 1.48, 5 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-[(2S)-1-hydroxypropan-2-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69481025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).