(Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one

C15H14N2O2 — CID 56970838

IUPAC(Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one
SMILESC/C(=C/C(=O)c1ccccc1)Nc1ncccc1O
InChIInChI=1S/C15H14N2O2/c1-11(17-15-13(18)8-5-9-16-15)10-14(19)12-6-3-2-4-7-12/h2-10,18H,1H3,(H,16,17)/b11-10-
InChIKeyIUYLTBRQEKRZDQ-KHPPLWFESA-N
MW254.29 g/mol
LogP2.99
Rot. Bonds4

About (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one

(Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one (PubChem CID 56970838) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one
PubChem CID56970838
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one
SMILESC/C(=C/C(=O)c1ccccc1)Nc1ncccc1O
InChIInChI=1S/C15H14N2O2/c1-11(17-15-13(18)8-5-9-16-15)10-14(19)12-6-3-2-4-7-12/h2-10,18H,1H3,(H,16,17)/b11-10-
InChIKeyIUYLTBRQEKRZDQ-KHPPLWFESA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2,6-dimethylanilino)-1-phenylbut-2-en-1-one
CID 177395416
(Z)-3-(4-chloroanilino)-1-phenylbut-2-en-1-one
CID 5408006
3-(3,4-dichloroanilino)-1-phenylbut-2-en-1-one
CID 867749
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
(Z)-1-phenyl-3-[[(1R)-1-phenylethyl]amino]but-2-en-1-one
CID 10934378
(E)-1-phenyl-3-(4-phenyldiazenylanilino)but-2-en-1-one
CID 39428563
3-(2-methoxyanilino)-1-pyridin-3-ylbut-2-en-1-one
CID 23988711
N-(3-hydroxy-2-pyridinyl)pyridine-4-carboxamide
CID 30160671
3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
(E)-1-phenyl-3-[1-(pyridin-2-ylmethylideneamino)propan-2-ylamino]but-2-en-1-one
CID 177399856
2-(3-benzoylphenyl)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 71400630

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one?
The IUPAC name of (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one (CID 56970838) is (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one.
What is the SMILES notation for (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one?
The canonical SMILES for (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one is C/C(=C/C(=O)c1ccccc1)Nc1ncccc1O.
What is the InChIKey of (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one?
The InChIKey is IUYLTBRQEKRZDQ-KHPPLWFESA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(17-15-13(18)8-5-9-16-15)10-14(19)12-6-3-2-4-7-12/h2-10,18H,1H3,(H,16,17)/b11-10-.
What are the key properties of (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one?
(Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-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 (Z)-3-[(3-hydroxy-2-pyridinyl)amino]-1-phenylbut-2-en-1-one is sourced from PubChem (CID 56970838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).