1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea

C23H26FN5O2 — CID 118712939

IUPAC1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1
InChIInChI=1S/C23H26FN5O2/c1-16-2-4-18(5-3-16)26-23(31)27-19-8-10-28(11-9-19)12-13-29-21-14-17(24)15-25-20(21)6-7-22(29)30/h2-7,14-15,19H,8-13H2,1H3,(H2,26,27,31)
InChIKeyDPBJCNAITGWSBA-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.13
Rot. Bonds5

About 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea

1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea (PubChem CID 118712939) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea
PubChem CID118712939
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1
InChIInChI=1S/C23H26FN5O2/c1-16-2-4-18(5-3-16)26-23(31)27-19-8-10-28(11-9-19)12-13-29-21-14-17(24)15-25-20(21)6-7-22(29)30/h2-7,14-15,19H,8-13H2,1H3,(H2,26,27,31)
InChIKeyDPBJCNAITGWSBA-UHFFFAOYSA-N
XLogP3.13
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea with MolForge

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Related Compounds

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CID 146681131
N-(2,5-Dimethylphenyl)-N'-{2-[4-(4-fluorophenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}ethanediamide
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CID 16017378
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1-(4-Butylphenyl)-3-(pyridin-2-ylmethyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea (CID 118712939) is 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1.
What is the InChIKey of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea?
The InChIKey is DPBJCNAITGWSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-16-2-4-18(5-3-16)26-23(31)27-19-8-10-28(11-9-19)12-13-29-21-14-17(24)15-25-20(21)6-7-22(29)30/h2-7,14-15,19H,8-13H2,1H3,(H2,26,27,31).
What are the key properties of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea?
1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea has a molecular weight of 423.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 118712939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).