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

C24H27FN4O5 — CID 69482653

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)C)c1=O
InChIInChI=1S/C24H27FN4O5/c1-14(2)28-19(30)13-29-18-11-16(10-15-4-6-17(25)7-5-15)12-27-21(18)22(31)20(24(29)33)23(32)26-8-9-34-3/h4-7,11-12,14,31H,8-10,13H2,1-3H3,(H,26,32)(H,28,30)
InChIKeyYJGKYWJXSDAHMN-UHFFFAOYSA-N
MW470.50 g/mol
LogP1.73
Rot. Bonds9

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 69482653) has the molecular formula C24H27FN4O5 and a molecular weight of 470.50 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide
PubChem CID69482653
Molecular FormulaC24H27FN4O5
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)C)c1=O
InChIInChI=1S/C24H27FN4O5/c1-14(2)28-19(30)13-29-18-11-16(10-15-4-6-17(25)7-5-15)12-27-21(18)22(31)20(24(29)33)23(32)26-8-9-34-3/h4-7,11-12,14,31H,8-10,13H2,1-3H3,(H,26,32)(H,28,30)
InChIKeyYJGKYWJXSDAHMN-UHFFFAOYSA-N
XLogP1.73
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 51.73
H-Bond Donors ≤ 53
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 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide (CID 69482653) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)C)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide?
The InChIKey is YJGKYWJXSDAHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5/c1-14(2)28-19(30)13-29-18-11-16(10-15-4-6-17(25)7-5-15)12-27-21(18)22(31)20(24(29)33)23(32)26-8-9-34-3/h4-7,11-12,14,31H,8-10,13H2,1-3H3,(H,26,32)(H,28,30).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).