[6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate

C26H28N2O5 — CID 69132240

IUPAC[6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1cccc(C(=O)NCCc2ccc(OCCCCCc3ccccc3)cc2)n1
InChIInChI=1S/C26H28N2O5/c29-25(23-11-7-12-24(28-23)33-26(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)
InChIKeyHORTXCLLYJFWHS-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.90
Rot. Bonds12

About [6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate

[6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate (PubChem CID 69132240) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is [6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate
PubChem CID69132240
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name[6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1cccc(C(=O)NCCc2ccc(OCCCCCc3ccccc3)cc2)n1
InChIInChI=1S/C26H28N2O5/c29-25(23-11-7-12-24(28-23)33-26(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)
InChIKeyHORTXCLLYJFWHS-UHFFFAOYSA-N
XLogP4.90
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide
CID 66689343
2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528974
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoic acid
CID 67485301
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
N-chloro-2-[4-(4-phenylbutoxy)phenyl]ethanamine
CID 89281693
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
4-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]butanoic acid
CID 10157665
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
benzyl-dimethyl-[4-[[4-(5-phenylpentoxy)benzoyl]amino]butyl]azanium
CID 139793402

Frequently Asked Questions

What is the IUPAC name of [6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate (CID 69132240) is [6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate is O=C(O)Oc1cccc(C(=O)NCCc2ccc(OCCCCCc3ccccc3)cc2)n1.
What is the InChIKey of [6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate?
The InChIKey is HORTXCLLYJFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c29-25(23-11-7-12-24(28-23)33-26(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]-2-pyridinyl] hydrogen carbonate?
[6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate has a molecular weight of 448.52 g/mol, XLogP of 4.90, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 69132240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).