(Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one

C16H16N2O2 — CID 5346383

IUPAC(Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one
SMILESCC/C(=C/C(=O)c1ccncc1)Nc1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-2-13(18-14-3-5-15(19)6-4-14)11-16(20)12-7-9-17-10-8-12/h3-11,18-19H,2H2,1H3/b13-11-
InChIKeyINTUOUMIDBEIJA-QBFSEMIESA-N
MW268.32 g/mol
LogP3.38
Rot. Bonds5

About (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one

(Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one (PubChem CID 5346383) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one
PubChem CID5346383
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one
SMILESCC/C(=C/C(=O)c1ccncc1)Nc1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-2-13(18-14-3-5-15(19)6-4-14)11-16(20)12-7-9-17-10-8-12/h3-11,18-19H,2H2,1H3/b13-11-
InChIKeyINTUOUMIDBEIJA-QBFSEMIESA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
CID 3777683
(Z)-1-(4-bromophenyl)-3-(4-methoxyanilino)pent-2-en-1-one
CID 5438972
(E)-5-chloro-4-(pyridin-4-ylamino)pent-3-en-2-one
CID 14786249
N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide
CID 6283396
N'-(4-hydroxyphenyl)pyridine-4-carbohydrazide
CID 175385248
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea
CID 86577325
ethyl (Z)-2-anilino-4-(4-hydroxyphenyl)-4-oxobut-2-enoate
CID 46496937
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
(Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one
CID 1480024
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one?
The IUPAC name of (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one (CID 5346383) is (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one?
The canonical SMILES for (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one is CC/C(=C/C(=O)c1ccncc1)Nc1ccc(O)cc1.
What is the InChIKey of (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one?
The InChIKey is INTUOUMIDBEIJA-QBFSEMIESA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-13(18-14-3-5-15(19)6-4-14)11-16(20)12-7-9-17-10-8-12/h3-11,18-19H,2H2,1H3/b13-11-.
What are the key properties of (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one?
(Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one has a molecular weight of 268.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one is sourced from PubChem (CID 5346383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).