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

C19H18FN3O4 — CID 54719986

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C19H18FN3O4/c1-27-7-6-21-18(25)15-17(24)16-14(23-19(15)26)9-12(10-22-16)8-11-2-4-13(20)5-3-11/h2-5,9-10H,6-8H2,1H3,(H,21,25)(H2,23,24,26)
InChIKeyADDAVDPIWMAUCW-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.73
Rot. Bonds6

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54719986) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54719986
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C19H18FN3O4/c1-27-7-6-21-18(25)15-17(24)16-14(23-19(15)26)9-12(10-22-16)8-11-2-4-13(20)5-3-11/h2-5,9-10H,6-8H2,1H3,(H,21,25)(H2,23,24,26)
InChIKeyADDAVDPIWMAUCW-UHFFFAOYSA-N
XLogP1.73
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 54719986) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is ADDAVDPIWMAUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-27-7-6-21-18(25)15-17(24)16-14(23-19(15)26)9-12(10-22-16)8-11-2-4-13(20)5-3-11/h2-5,9-10H,6-8H2,1H3,(H,21,25)(H2,23,24,26).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54719986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).