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

C25H29FN4O4 — CID 69482548

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CCNCC2)c1=O
InChIInChI=1S/C25H29FN4O4/c1-34-11-10-28-24(32)21-23(31)22-20(30(25(21)33)15-17-6-8-27-9-7-17)13-18(14-29-22)12-16-2-4-19(26)5-3-16/h2-5,13-14,17,27,31H,6-12,15H2,1H3,(H,28,32)
InChIKeyOGTLBRNOCHODJQ-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.21
Rot. Bonds8

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69482548) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide
PubChem CID69482548
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CCNCC2)c1=O
InChIInChI=1S/C25H29FN4O4/c1-34-11-10-28-24(32)21-23(31)22-20(30(25(21)33)15-17-6-8-27-9-7-17)13-18(14-29-22)12-16-2-4-19(26)5-3-16/h2-5,13-14,17,27,31H,6-12,15H2,1H3,(H,28,32)
InChIKeyOGTLBRNOCHODJQ-UHFFFAOYSA-N
XLogP2.21
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-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 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide (CID 69482548) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CCNCC2)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide?
The InChIKey is OGTLBRNOCHODJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-34-11-10-28-24(32)21-23(31)22-20(30(25(21)33)15-17-6-8-27-9-7-17)13-18(14-29-22)12-16-2-4-19(26)5-3-16/h2-5,13-14,17,27,31H,6-12,15H2,1H3,(H,28,32).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 2.21, 8 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-(piperidin-4-ylmethyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).