6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid

C26H28N2O4 — CID 10296472

IUPAC6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCc2ccc(OCCCCCc3ccccc3)cc2)n1
InChIInChI=1S/C26H28N2O4/c29-25(23-11-7-12-24(28-23)26(30)31)27-18-17-21-13-15-22(16-14-21)32-19-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,11-16H,2,5-6,10,17-19H2,(H,27,29)(H,30,31)
InChIKeyVTCFHGDWYIVIQM-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.54
Rot. Bonds12

About 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid

6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 10296472) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID10296472
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCc2ccc(OCCCCCc3ccccc3)cc2)n1
InChIInChI=1S/C26H28N2O4/c29-25(23-11-7-12-24(28-23)26(30)31)27-18-17-21-13-15-22(16-14-21)32-19-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,11-16H,2,5-6,10,17-19H2,(H,27,29)(H,30,31)
InChIKeyVTCFHGDWYIVIQM-UHFFFAOYSA-N
XLogP4.54
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid (CID 10296472) is 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCCc2ccc(OCCCCCc3ccccc3)cc2)n1.
What is the InChIKey of 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is VTCFHGDWYIVIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c29-25(23-11-7-12-24(28-23)26(30)31)27-18-17-21-13-15-22(16-14-21)32-19-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,11-16H,2,5-6,10,17-19H2,(H,27,29)(H,30,31).
What are the key properties of 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid?
6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 432.52 g/mol, XLogP of 4.54, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10296472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).