4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol

C22H22N2O — CID 122462323

IUPAC4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol
SMILESC=C(CCCc1ccc(-c2cccnc2)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C22H22N2O/c1-17(24-21-11-13-22(25)14-12-21)4-2-5-18-7-9-19(10-8-18)20-6-3-15-23-16-20/h3,6-16,24-25H,1-2,4-5H2
InChIKeyFMTHPJBIAHMLQI-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.40
Rot. Bonds7

About 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol

4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol (PubChem CID 122462323) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol.

Molecular Properties

Compound Name4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol
PubChem CID122462323
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol
SMILESC=C(CCCc1ccc(-c2cccnc2)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C22H22N2O/c1-17(24-21-11-13-22(25)14-12-21)4-2-5-18-7-9-19(10-8-18)20-6-3-15-23-16-20/h3,6-16,24-25H,1-2,4-5H2
InChIKeyFMTHPJBIAHMLQI-UHFFFAOYSA-N
XLogP5.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol?
The IUPAC name of 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol (CID 122462323) is 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol.
What is the SMILES notation for 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol?
The canonical SMILES for 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol is C=C(CCCc1ccc(-c2cccnc2)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol?
The InChIKey is FMTHPJBIAHMLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17(24-21-11-13-22(25)14-12-21)4-2-5-18-7-9-19(10-8-18)20-6-3-15-23-16-20/h3,6-16,24-25H,1-2,4-5H2.
What are the key properties of 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol?
4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol has a molecular weight of 330.43 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol is sourced from PubChem (CID 122462323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).