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

C15H14N2O2 — CID 139169728

IUPAC4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one
SMILESCC(=O)C=C(Nc1ccccc1O)c1ccccn1
InChIInChI=1S/C15H14N2O2/c1-11(18)10-14(12-6-4-5-9-16-12)17-13-7-2-3-8-15(13)19/h2-10,17,19H,1H3
InChIKeyYITIFWWYQVNTAI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.83
Rot. Bonds4

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

4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one (PubChem CID 139169728) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one.

Molecular Properties

Compound Name4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one
PubChem CID139169728
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one
SMILESCC(=O)C=C(Nc1ccccc1O)c1ccccn1
InChIInChI=1S/C15H14N2O2/c1-11(18)10-14(12-6-4-5-9-16-12)17-13-7-2-3-8-15(13)19/h2-10,17,19H,1H3
InChIKeyYITIFWWYQVNTAI-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

4-hydroxypent-3-en-2-one;pyridine-2-carboxylic acid
CID 77413550
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-(3-acetyl-2-hydroxyphenyl)pyridine-2-carboxamide
CID 68621080
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
gadolinium;pyridine-2-carboxylic acid
CID 175231422
N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
4-chloro-N-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 35852171
CID 175246691
CID 175246691
hafnium;pyridine-2-carboxylic acid
CID 175130925

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one?
The IUPAC name of 4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one (CID 139169728) is 4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one.
What is the SMILES notation for 4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one?
The canonical SMILES for 4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one is CC(=O)C=C(Nc1ccccc1O)c1ccccn1.
What is the InChIKey of 4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one?
The InChIKey is YITIFWWYQVNTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(18)10-14(12-6-4-5-9-16-12)17-13-7-2-3-8-15(13)19/h2-10,17,19H,1H3.
What are the key properties of 4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one?
4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyanilino)-4-pyridin-2-ylbut-3-en-2-one is sourced from PubChem (CID 139169728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).