(E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one

C15H14N2O2 — CID 5310870

IUPAC(E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)c1ccncc1)Nc1ccccc1O
InChIInChI=1S/C15H14N2O2/c1-11(17-13-4-2-3-5-14(13)18)10-15(19)12-6-8-16-9-7-12/h2-10,17-18H,1H3/b11-10+
InChIKeyYDDSRCGSOWJCSI-ZHACJKMWSA-N
MW254.29 g/mol
LogP2.99
Rot. Bonds4

About (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one

(E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one (PubChem CID 5310870) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one
PubChem CID5310870
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)c1ccncc1)Nc1ccccc1O
InChIInChI=1S/C15H14N2O2/c1-11(17-13-4-2-3-5-14(13)18)10-15(19)12-6-8-16-9-7-12/h2-10,17-18H,1H3/b11-10+
InChIKeyYDDSRCGSOWJCSI-ZHACJKMWSA-N
XLogP2.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(butan-2-yl)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 2999843
N-(2-methoxyphenyl)isonicotinamide 1-oxide
CID 786463
N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218550
N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218552
N-(2-hydroxy-5-phenylphenyl)pyridine-3-carboxamide
CID 44454622
N-(2-hydroxy-5-phenylphenyl)pyridine-4-carboxamide
CID 44454623
N-(2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
CID 155534404
1-(2-Hydroxy-phenyl)-3-(pyridine-3-carbonyl)-thiourea
CID 786715
N-(2-hydroxy-5-isopropylphenyl)nicotinamide
CID 753642
6-Chloro-N-(2-hydroxy-phenyl)-1-oxy-nicotinamide
CID 21878262
N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218548
(E)-3-(4-hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one
CID 5405848

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one?
The IUPAC name of (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one (CID 5310870) is (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one.
What is the SMILES notation for (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one?
The canonical SMILES for (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one is C/C(=C\C(=O)c1ccncc1)Nc1ccccc1O.
What is the InChIKey of (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one?
The InChIKey is YDDSRCGSOWJCSI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(17-13-4-2-3-5-14(13)18)10-15(19)12-6-8-16-9-7-12/h2-10,17-18H,1H3/b11-10+.
What are the key properties of (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one?
(E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one is sourced from PubChem (CID 5310870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).