(2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide

C13H14N2O2 — CID 142897594

IUPAC(2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide
SMILESC=C(/C=C(/C(C)=O)C(=O)NC)c1ccncc1
InChIInChI=1S/C13H14N2O2/c1-9(11-4-6-15-7-5-11)8-12(10(2)16)13(17)14-3/h4-8H,1H2,2-3H3,(H,14,17)/b12-8-
InChIKeyJSGNGLZFERXIJM-WQLSENKSSA-N
MW230.27 g/mol
LogP1.36
Rot. Bonds4

About (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide

(2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide (PubChem CID 142897594) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide
PubChem CID142897594
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide
SMILESC=C(/C=C(/C(C)=O)C(=O)NC)c1ccncc1
InChIInChI=1S/C13H14N2O2/c1-9(11-4-6-15-7-5-11)8-12(10(2)16)13(17)14-3/h4-8H,1H2,2-3H3,(H,14,17)/b12-8-
InChIKeyJSGNGLZFERXIJM-WQLSENKSSA-N
XLogP1.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide?
The IUPAC name of (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide (CID 142897594) is (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide.
What is the SMILES notation for (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide?
The canonical SMILES for (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide is C=C(/C=C(/C(C)=O)C(=O)NC)c1ccncc1.
What is the InChIKey of (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide?
The InChIKey is JSGNGLZFERXIJM-WQLSENKSSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(11-4-6-15-7-5-11)8-12(10(2)16)13(17)14-3/h4-8H,1H2,2-3H3,(H,14,17)/b12-8-.
What are the key properties of (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide?
(2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide has a molecular weight of 230.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide is sourced from PubChem (CID 142897594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).