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

C20H20FN3O4 — CID 69482466

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C20H20FN3O4/c1-24-15-10-13(9-12-3-5-14(21)6-4-12)11-23-17(15)18(26)16(20(24)28)19(27)22-7-2-8-25/h3-6,10-11,25-26H,2,7-9H2,1H3,(H,22,27)
InChIKeyXGKQXPNWENYBRG-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.48
Rot. Bonds6

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482466) 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-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69482466
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C20H20FN3O4/c1-24-15-10-13(9-12-3-5-14(21)6-4-12)11-23-17(15)18(26)16(20(24)28)19(27)22-7-2-8-25/h3-6,10-11,25-26H,2,7-9H2,1H3,(H,22,27)
InChIKeyXGKQXPNWENYBRG-UHFFFAOYSA-N
XLogP1.48
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482466) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is XGKQXPNWENYBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-24-15-10-13(9-12-3-5-14(21)6-4-12)11-23-17(15)18(26)16(20(24)28)19(27)22-7-2-8-25/h3-6,10-11,25-26H,2,7-9H2,1H3,(H,22,27).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 1.48, 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-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).