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

C23H25FN4O5 — CID 58882980

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O
InChIInChI=1S/C23H25FN4O5/c1-27(2)18(29)13-28-17-11-15(10-14-4-6-16(24)7-5-14)12-26-20(17)21(30)19(23(28)32)22(31)25-8-9-33-3/h4-7,11-12,30H,8-10,13H2,1-3H3,(H,25,31)
InChIKeyPYZPPVJYQJWLSA-UHFFFAOYSA-N
MW456.47 g/mol
LogP1.30
Rot. Bonds8

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

1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 58882980) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID58882980
Molecular FormulaC23H25FN4O5
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O
InChIInChI=1S/C23H25FN4O5/c1-27(2)18(29)13-28-17-11-15(10-14-4-6-16(24)7-5-14)12-26-20(17)21(30)19(23(28)32)22(31)25-8-9-33-3/h4-7,11-12,30H,8-10,13H2,1-3H3,(H,25,31)
InChIKeyPYZPPVJYQJWLSA-UHFFFAOYSA-N
XLogP1.30
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 58882980) is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is PYZPPVJYQJWLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5/c1-27(2)18(29)13-28-17-11-15(10-14-4-6-16(24)7-5-14)12-26-20(17)21(30)19(23(28)32)22(31)25-8-9-33-3/h4-7,11-12,30H,8-10,13H2,1-3H3,(H,25,31).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).