(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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Related Compounds

N-(1-pyridin-4-ylethenyl)acetamide
CID 131985991
4-[(3Z)-penta-1,3-dien-2-yl]pyridine
CID 118479579
methyl 3-pyridin-4-ylbut-2-enoate
CID 134690655
N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide
CID 70360767
methyl 3-oxo-2-(pyridin-4-ylmethylidene)butanoate
CID 54058370
4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine
CID 126583837
3-pyridin-4-ylbut-2-enal
CID 130702758
1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)thiourea
CID 58535105
propan-2-one;pyridine-4-carboxamide
CID 174689468
2-pyridin-4-ylprop-2-enoic acid
CID 19966870
(Z)-3-(dimethylamino)-1-pyridin-4-ylbut-2-en-1-one
CID 1480024
N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 58188881

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).