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

C21H22FN3O4 — CID 71716779

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESC[C@H](CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O
InChIInChI=1S/C21H22FN3O4/c1-12(11-26)9-24-20(28)17-19(27)18-16(25(2)21(17)29)8-14(10-23-18)7-13-3-5-15(22)6-4-13/h3-6,8,10,12,26-27H,7,9,11H2,1-2H3,(H,24,28)/t12-/m0/s1
InChIKeyPEUHOTMXYZUPRW-LBPRGKRZSA-N
MW399.42 g/mol
LogP1.73
Rot. Bonds6

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 71716779) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID71716779
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESC[C@H](CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O
InChIInChI=1S/C21H22FN3O4/c1-12(11-26)9-24-20(28)17-19(27)18-16(25(2)21(17)29)8-14(10-23-18)7-13-3-5-15(22)6-4-13/h3-6,8,10,12,26-27H,7,9,11H2,1-2H3,(H,24,28)/t12-/m0/s1
InChIKeyPEUHOTMXYZUPRW-LBPRGKRZSA-N
XLogP1.73
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 51.73
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)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 71716779) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is C[C@H](CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is PEUHOTMXYZUPRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-12(11-26)9-24-20(28)17-19(27)18-16(25(2)21(17)29)8-14(10-23-18)7-13-3-5-15(22)6-4-13/h3-6,8,10,12,26-27H,7,9,11H2,1-2H3,(H,24,28)/t12-/m0/s1.
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 1.73, 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-[(2S)-3-hydroxy-2-methylpropyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 71716779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).