3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide

C23H24N2O3 — CID 57131191

IUPAC3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc(O)c(O)c1)NC1=CCN(CCCc2ccccc2)C=C1
InChIInChI=1S/C23H24N2O3/c26-21-10-8-19(17-22(21)27)9-11-23(28)24-20-12-15-25(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,17,26-27H,4,7,14,16H2,(H,24,28)
InChIKeyJZBPCPOETMTINA-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.57
Rot. Bonds7

About 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide

3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide (PubChem CID 57131191) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide
PubChem CID57131191
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc(O)c(O)c1)NC1=CCN(CCCc2ccccc2)C=C1
InChIInChI=1S/C23H24N2O3/c26-21-10-8-19(17-22(21)27)9-11-23(28)24-20-12-15-25(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,17,26-27H,4,7,14,16H2,(H,24,28)
InChIKeyJZBPCPOETMTINA-UHFFFAOYSA-N
XLogP3.57
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide (CID 57131191) is 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide is O=C(C=Cc1ccc(O)c(O)c1)NC1=CCN(CCCc2ccccc2)C=C1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide?
The InChIKey is JZBPCPOETMTINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21-10-8-19(17-22(21)27)9-11-23(28)24-20-12-15-25(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,17,26-27H,4,7,14,16H2,(H,24,28).
What are the key properties of 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide?
3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide has a molecular weight of 376.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-N-[1-(3-phenylpropyl)-2H-pyridin-4-yl]prop-2-enamide is sourced from PubChem (CID 57131191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).