(Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide

C17H16N2O3 — CID 5293450

IUPAC(Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide
SMILESCc1ccc(/C(O)=C/C(=O)C(=O)Nc2ccccn2)c(C)c1
InChIInChI=1S/C17H16N2O3/c1-11-6-7-13(12(2)9-11)14(20)10-15(21)17(22)19-16-5-3-4-8-18-16/h3-10,20H,1-2H3,(H,18,19,22)/b14-10-
InChIKeyGUZTUDGKVBNXKV-UVTDQMKNSA-N
MW296.33 g/mol
LogP2.81
Rot. Bonds4

About (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide

(Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide (PubChem CID 5293450) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide.

Molecular Properties

Compound Name(Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide
PubChem CID5293450
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide
SMILESCc1ccc(/C(O)=C/C(=O)C(=O)Nc2ccccn2)c(C)c1
InChIInChI=1S/C17H16N2O3/c1-11-6-7-13(12(2)9-11)14(20)10-15(21)17(22)19-16-5-3-4-8-18-16/h3-10,20H,1-2H3,(H,18,19,22)/b14-10-
InChIKeyGUZTUDGKVBNXKV-UVTDQMKNSA-N
XLogP2.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethylphenyl)-N-pyridin-2-yloxamide
CID 44999307
N-(2-amino-4-methylphenyl)-N'-pyridin-2-yloxamide
CID 108525984
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide
CID 134096374
(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide
CID 137144324
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
N-(2-chloro-4-methylphenyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 3437809
pyridine;N-pyridin-2-ylacetamide
CID 67298573
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316
4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35035900
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
2,4-dimethylbenzoic acid;2-methylpyridin-3-ol
CID 67699465

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide?
The IUPAC name of (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide (CID 5293450) is (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide.
What is the SMILES notation for (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide?
The canonical SMILES for (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide is Cc1ccc(/C(O)=C/C(=O)C(=O)Nc2ccccn2)c(C)c1.
What is the InChIKey of (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide?
The InChIKey is GUZTUDGKVBNXKV-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-6-7-13(12(2)9-11)14(20)10-15(21)17(22)19-16-5-3-4-8-18-16/h3-10,20H,1-2H3,(H,18,19,22)/b14-10-.
What are the key properties of (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide?
(Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide has a molecular weight of 296.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide is sourced from PubChem (CID 5293450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).