5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C22H21FN4O3 — CID 25032869

IUPAC5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCCN1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O
InChIInChI=1S/C22H21FN4O3/c1-2-27-12-14(10-17(27)28)18-16-4-3-9-24-19(16)21(29)20(26-18)22(30)25-11-13-5-7-15(23)8-6-13/h3-9,14,29H,2,10-12H2,1H3,(H,25,30)
InChIKeyPBZCVULNNNFCSF-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.74
Rot. Bonds5

About 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 25032869) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID25032869
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCCN1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O
InChIInChI=1S/C22H21FN4O3/c1-2-27-12-14(10-17(27)28)18-16-4-3-9-24-19(16)21(29)20(26-18)22(30)25-11-13-5-7-15(23)8-6-13/h3-9,14,29H,2,10-12H2,1H3,(H,25,30)
InChIKeyPBZCVULNNNFCSF-UHFFFAOYSA-N
XLogP2.74
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 25032869) is 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is CCN1CC(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1=O.
What is the InChIKey of 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is PBZCVULNNNFCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-2-27-12-14(10-17(27)28)18-16-4-3-9-24-19(16)21(29)20(26-18)22(30)25-11-13-5-7-15(23)8-6-13/h3-9,14,29H,2,10-12H2,1H3,(H,25,30).
What are the key properties of 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-oxopyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 25032869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).