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

C23H26FN3O4 — CID 69480182

IUPAC1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC[C@H](C)O)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H26FN3O4/c1-3-4-9-27-18-11-16(10-15-5-7-17(24)8-6-15)13-25-20(18)21(29)19(23(27)31)22(30)26-12-14(2)28/h5-8,11,13-14,28-29H,3-4,9-10,12H2,1-2H3,(H,26,30)/t14-/m0/s1
InChIKeyDBHDTAVUEKKUNA-AWEZNQCLSA-N
MW427.48 g/mol
LogP2.74
Rot. Bonds8

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

1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69480182) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69480182
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC[C@H](C)O)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C23H26FN3O4/c1-3-4-9-27-18-11-16(10-15-5-7-17(24)8-6-15)13-25-20(18)21(29)19(23(27)31)22(30)26-12-14(2)28/h5-8,11,13-14,28-29H,3-4,9-10,12H2,1-2H3,(H,26,30)/t14-/m0/s1
InChIKeyDBHDTAVUEKKUNA-AWEZNQCLSA-N
XLogP2.74
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69480182) is 1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide is CCCCn1c(=O)c(C(=O)NC[C@H](C)O)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is DBHDTAVUEKKUNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-3-4-9-27-18-11-16(10-15-5-7-17(24)8-6-15)13-25-20(18)21(29)19(23(27)31)22(30)26-12-14(2)28/h5-8,11,13-14,28-29H,3-4,9-10,12H2,1-2H3,(H,26,30)/t14-/m0/s1.
What are the key properties of 1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).