7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide

C26H29FN4O5 — CID 69482192

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCCC2=O)c1=O
InChIInChI=1S/C26H29FN4O5/c27-19-7-5-17(6-8-19)14-18-15-20-23(29-16-18)24(34)22(25(35)28-9-3-13-32)26(36)31(20)12-11-30-10-2-1-4-21(30)33/h5-8,15-16,32,34H,1-4,9-14H2,(H,28,35)
InChIKeyOMXZEIMYBRNXET-UHFFFAOYSA-N
MW496.54 g/mol
LogP1.96
Rot. Bonds9

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 69482192) has the molecular formula C26H29FN4O5 and a molecular weight of 496.54 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
PubChem CID69482192
Molecular FormulaC26H29FN4O5
Molecular Weight496.54 g/mol
Exact Mass496.21
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCCC2=O)c1=O
InChIInChI=1S/C26H29FN4O5/c27-19-7-5-17(6-8-19)14-18-15-20-23(29-16-18)24(34)22(25(35)28-9-3-13-32)26(36)31(20)12-11-30-10-2-1-4-21(30)33/h5-8,15-16,32,34H,1-4,9-14H2,(H,28,35)
InChIKeyOMXZEIMYBRNXET-UHFFFAOYSA-N
XLogP1.96
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 51.96
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-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (CID 69482192) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is O=C(NCCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCCC2=O)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The InChIKey is OMXZEIMYBRNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O5/c27-19-7-5-17(6-8-19)14-18-15-20-23(29-16-18)24(34)22(25(35)28-9-3-13-32)26(36)31(20)12-11-30-10-2-1-4-21(30)33/h5-8,15-16,32,34H,1-4,9-14H2,(H,28,35).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 1.96, 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-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).