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

C21H22FN3O4 — CID 58882936

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C21H22FN3O4/c1-21(2,11-26)10-24-19(28)16-18(27)17-15(25-20(16)29)8-13(9-23-17)7-12-3-5-14(22)6-4-12/h3-6,8-9,26H,7,10-11H2,1-2H3,(H,24,28)(H2,25,27,29)
InChIKeyWALXSGFVDFDFRD-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.11
Rot. Bonds6

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 58882936) 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-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID58882936
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C21H22FN3O4/c1-21(2,11-26)10-24-19(28)16-18(27)17-15(25-20(16)29)8-13(9-23-17)7-12-3-5-14(22)6-4-12/h3-6,8-9,26H,7,10-11H2,1-2H3,(H,24,28)(H2,25,27,29)
InChIKeyWALXSGFVDFDFRD-UHFFFAOYSA-N
XLogP2.11
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.11
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-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 58882936) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is CC(C)(CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is WALXSGFVDFDFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-21(2,11-26)10-24-19(28)16-18(27)17-15(25-20(16)29)8-13(9-23-17)7-12-3-5-14(22)6-4-12/h3-6,8-9,26H,7,10-11H2,1-2H3,(H,24,28)(H2,25,27,29).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 2.11, 6 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-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).