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

C25H27FN4O5 — CID 58882912

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C25H27FN4O5/c1-35-11-8-27-24(33)21-23(32)22-19(30(25(21)34)15-20(31)29-9-2-3-10-29)13-17(14-28-22)12-16-4-6-18(26)7-5-16/h4-7,13-14,32H,2-3,8-12,15H2,1H3,(H,27,33)
InChIKeyNHVRMORBBFOPFV-UHFFFAOYSA-N
MW482.51 g/mol
LogP1.83
Rot. Bonds8

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 58882912) has the molecular formula C25H27FN4O5 and a molecular weight of 482.51 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide
PubChem CID58882912
Molecular FormulaC25H27FN4O5
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C25H27FN4O5/c1-35-11-8-27-24(33)21-23(32)22-19(30(25(21)34)15-20(31)29-9-2-3-10-29)13-17(14-28-22)12-16-4-6-18(26)7-5-16/h4-7,13-14,32H,2-3,8-12,15H2,1H3,(H,27,33)
InChIKeyNHVRMORBBFOPFV-UHFFFAOYSA-N
XLogP1.83
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 51.83
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 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide (CID 58882912) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide?
The InChIKey is NHVRMORBBFOPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O5/c1-35-11-8-27-24(33)21-23(32)22-19(30(25(21)34)15-20(31)29-9-2-3-10-29)13-17(14-28-22)12-16-4-6-18(26)7-5-16/h4-7,13-14,32H,2-3,8-12,15H2,1H3,(H,27,33).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 482.51 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 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-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).