(E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide

C17H16N2O2 — CID 143475257

IUPAC(E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(-c2cncc(C(C)=O)c2)cc1
InChIInChI=1S/C17H16N2O2/c1-3-4-17(21)19-16-7-5-13(6-8-16)15-9-14(12(2)20)10-18-11-15/h3-11H,1-2H3,(H,19,21)/b4-3+
InChIKeyLOYBJPVPEIOJEB-ONEGZZNKSA-N
MW280.33 g/mol
LogP3.47
Rot. Bonds4

About (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide

(E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide (PubChem CID 143475257) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide
PubChem CID143475257
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(-c2cncc(C(C)=O)c2)cc1
InChIInChI=1S/C17H16N2O2/c1-3-4-17(21)19-16-7-5-13(6-8-16)15-9-14(12(2)20)10-18-11-15/h3-11H,1-2H3,(H,19,21)/b4-3+
InChIKeyLOYBJPVPEIOJEB-ONEGZZNKSA-N
XLogP3.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
CID 26664564
(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
CID 110470252
N-[4-(carbamoylamino)phenyl]but-2-enamide
CID 78997401
(Z)-N-phenylbut-2-enamide
CID 59909226
(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide
CID 145382595
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-(4-pyrimidin-5-ylphenyl)prop-2-enamide
CID 166406957
5-[[(2E,4E)-hexa-2,4-dienoyl]amino]pyridine-3-carboxylic acid
CID 55164654
5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
CID 53224753
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide?
The IUPAC name of (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide (CID 143475257) is (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide?
The canonical SMILES for (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide is C/C=C/C(=O)Nc1ccc(-c2cncc(C(C)=O)c2)cc1.
What is the InChIKey of (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide?
The InChIKey is LOYBJPVPEIOJEB-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-4-17(21)19-16-7-5-13(6-8-16)15-9-14(12(2)20)10-18-11-15/h3-11H,1-2H3,(H,19,21)/b4-3+.
What are the key properties of (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide?
(E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide has a molecular weight of 280.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(5-acetyl-3-pyridinyl)phenyl]but-2-enamide is sourced from PubChem (CID 143475257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).