2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide

C12H13N3O3 — CID 57073524

IUPAC2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide
SMILESCC(=O)NCC(=O)N/C(C=O)=C\c1ccccn1
InChIInChI=1S/C12H13N3O3/c1-9(17)14-7-12(18)15-11(8-16)6-10-4-2-3-5-13-10/h2-6,8H,7H2,1H3,(H,14,17)(H,15,18)/b11-6-
InChIKeySNYFOLMYTNGJAJ-WDZFZDKYSA-N
MW247.25 g/mol
LogP-0.13
Rot. Bonds5

About 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide

2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide (PubChem CID 57073524) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide
PubChem CID57073524
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide
SMILESCC(=O)NCC(=O)N/C(C=O)=C\c1ccccn1
InChIInChI=1S/C12H13N3O3/c1-9(17)14-7-12(18)15-11(8-16)6-10-4-2-3-5-13-10/h2-6,8H,7H2,1H3,(H,14,17)(H,15,18)/b11-6-
InChIKeySNYFOLMYTNGJAJ-WDZFZDKYSA-N
XLogP-0.13
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 54276850
(E)-N-(3-oxo-1-pyridin-2-ylprop-1-en-2-yl)but-2-enamide
CID 173269903
2-(methylamino)-3-pyridin-2-ylprop-2-enal
CID 173269525
methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
CID 173269721
(2Z)-2-(pyridin-2-ylmethylidene)hexanal
CID 88508885
(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
CID 12946087
(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
CID 173269986
ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate
CID 70608228
(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide
CID 173269865
(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 173270130
2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 54041980
1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
CID 177312933

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide?
The IUPAC name of 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide (CID 57073524) is 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide is CC(=O)NCC(=O)N/C(C=O)=C\c1ccccn1.
What is the InChIKey of 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide?
The InChIKey is SNYFOLMYTNGJAJ-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-9(17)14-7-12(18)15-11(8-16)6-10-4-2-3-5-13-10/h2-6,8H,7H2,1H3,(H,14,17)(H,15,18)/b11-6-.
What are the key properties of 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide?
2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide has a molecular weight of 247.25 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide is sourced from PubChem (CID 57073524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).