N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide

C21H19FN2O3 — CID 166412526

IUPACN-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CC=C(c3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H19FN2O3/c1-2-20(26)23-17-6-7-19(25)18(13-17)21(27)24-10-8-14(9-11-24)15-4-3-5-16(22)12-15/h2-8,12-13,25H,1,9-11H2,(H,23,26)
InChIKeyULCDQADECNGVGM-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.59
Rot. Bonds4

About N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide

N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide (PubChem CID 166412526) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide
PubChem CID166412526
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CC=C(c3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H19FN2O3/c1-2-20(26)23-17-6-7-19(25)18(13-17)21(27)24-10-8-14(9-11-24)15-4-3-5-16(22)12-15/h2-8,12-13,25H,1,9-11H2,(H,23,26)
InChIKeyULCDQADECNGVGM-UHFFFAOYSA-N
XLogP3.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide?
The IUPAC name of N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide (CID 166412526) is N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide?
The canonical SMILES for N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(O)c(C(=O)N2CC=C(c3cccc(F)c3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide?
The InChIKey is ULCDQADECNGVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-2-20(26)23-17-6-7-19(25)18(13-17)21(27)24-10-8-14(9-11-24)15-4-3-5-16(22)12-15/h2-8,12-13,25H,1,9-11H2,(H,23,26).
What are the key properties of N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide?
N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide has a molecular weight of 366.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide is sourced from PubChem (CID 166412526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).