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

C23H25FN4O3 — CID 71541474

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C23H25FN4O3/c24-17-6-4-15(5-7-17)12-16-13-18-20(26-14-16)21(29)19(23(31)27-18)22(30)25-8-3-11-28-9-1-2-10-28/h4-7,13-14H,1-3,8-12H2,(H,25,30)(H2,27,29,31)
InChIKeyIGVFBVBNNDZUPO-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.57
Rot. Bonds7

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 71541474) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide
PubChem CID71541474
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C23H25FN4O3/c24-17-6-4-15(5-7-17)12-16-13-18-20(26-14-16)21(29)19(23(31)27-18)22(30)25-8-3-11-28-9-1-2-10-28/h4-7,13-14H,1-3,8-12H2,(H,25,30)(H2,27,29,31)
InChIKeyIGVFBVBNNDZUPO-UHFFFAOYSA-N
XLogP2.57
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide (CID 71541474) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide is O=C(NCCCN1CCCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is IGVFBVBNNDZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-17-6-4-15(5-7-17)12-16-13-18-20(26-14-16)21(29)19(23(31)27-18)22(30)25-8-3-11-28-9-1-2-10-28/h4-7,13-14H,1-3,8-12H2,(H,25,30)(H2,27,29,31).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 71541474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).