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

C24H27FN4O5 — CID 69481067

IUPAC1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCN(C)C(=O)Cn1c(=O)c(C(=O)NCCOC)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C24H27FN4O5/c1-4-28(2)19(30)14-29-18-12-16(11-15-5-7-17(25)8-6-15)13-27-21(18)22(31)20(24(29)33)23(32)26-9-10-34-3/h5-8,12-13,31H,4,9-11,14H2,1-3H3,(H,26,32)
InChIKeyNKPZIQZMGZCGCD-UHFFFAOYSA-N
MW470.50 g/mol
LogP1.69
Rot. Bonds9

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

1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69481067) has the molecular formula C24H27FN4O5 and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69481067
Molecular FormulaC24H27FN4O5
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCCN(C)C(=O)Cn1c(=O)c(C(=O)NCCOC)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C24H27FN4O5/c1-4-28(2)19(30)14-29-18-12-16(11-15-5-7-17(25)8-6-15)13-27-21(18)22(31)20(24(29)33)23(32)26-9-10-34-3/h5-8,12-13,31H,4,9-11,14H2,1-3H3,(H,26,32)
InChIKeyNKPZIQZMGZCGCD-UHFFFAOYSA-N
XLogP1.69
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 51.69
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-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69481067) is 1-[2-[ethyl(methyl)amino]-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-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is CCN(C)C(=O)Cn1c(=O)c(C(=O)NCCOC)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is NKPZIQZMGZCGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5/c1-4-28(2)19(30)14-29-18-12-16(11-15-5-7-17(25)8-6-15)13-27-21(18)22(31)20(24(29)33)23(32)26-9-10-34-3/h5-8,12-13,31H,4,9-11,14H2,1-3H3,(H,26,32).
What are the key properties of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69481067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).