4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid

C21H21NO4 — CID 67607933

IUPAC4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(Oc2cccc3ccccc23)cc1=O
InChIInChI=1S/C21H21NO4/c1-14(2)12-18(21(24)25)22-11-10-16(13-20(22)23)26-19-9-5-7-15-6-3-4-8-17(15)19/h3-11,13-14,18H,12H2,1-2H3,(H,24,25)
InChIKeyOPWRPWFAIXANCJ-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.47
Rot. Bonds6

About 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid

4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid (PubChem CID 67607933) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid
PubChem CID67607933
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(Oc2cccc3ccccc23)cc1=O
InChIInChI=1S/C21H21NO4/c1-14(2)12-18(21(24)25)22-11-10-16(13-20(22)23)26-19-9-5-7-15-6-3-4-8-17(15)19/h3-11,13-14,18H,12H2,1-2H3,(H,24,25)
InChIKeyOPWRPWFAIXANCJ-UHFFFAOYSA-N
XLogP4.47
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid?
The IUPAC name of 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid (CID 67607933) is 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid is CC(C)CC(C(=O)O)n1ccc(Oc2cccc3ccccc23)cc1=O.
What is the InChIKey of 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid?
The InChIKey is OPWRPWFAIXANCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-14(2)12-18(21(24)25)22-11-10-16(13-20(22)23)26-19-9-5-7-15-6-3-4-8-17(15)19/h3-11,13-14,18H,12H2,1-2H3,(H,24,25).
What are the key properties of 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid?
4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid has a molecular weight of 351.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-naphthalen-1-yloxy-2-oxo-1-pyridinyl)pentanoic acid is sourced from PubChem (CID 67607933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).