(2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide

C12H14N2O3 — CID 11550424

IUPAC(2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide
SMILESCON(C)C(=O)/C(=C\c1ccccn1)C(C)=O
InChIInChI=1S/C12H14N2O3/c1-9(15)11(12(16)14(2)17-3)8-10-6-4-5-7-13-10/h4-8H,1-3H3/b11-8-
InChIKeyAEGNZMQOVBOBGQ-FLIBITNWSA-N
MW234.25 g/mol
LogP1.07
Rot. Bonds4

About (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide

(2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide (PubChem CID 11550424) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide.

Molecular Properties

Compound Name(2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide
PubChem CID11550424
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide
SMILESCON(C)C(=O)/C(=C\c1ccccn1)C(C)=O
InChIInChI=1S/C12H14N2O3/c1-9(15)11(12(16)14(2)17-3)8-10-6-4-5-7-13-10/h4-8H,1-3H3/b11-8-
InChIKeyAEGNZMQOVBOBGQ-FLIBITNWSA-N
XLogP1.07
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide?
The IUPAC name of (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide (CID 11550424) is (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide.
What is the SMILES notation for (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide?
The canonical SMILES for (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide is CON(C)C(=O)/C(=C\c1ccccn1)C(C)=O.
What is the InChIKey of (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide?
The InChIKey is AEGNZMQOVBOBGQ-FLIBITNWSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-9(15)11(12(16)14(2)17-3)8-10-6-4-5-7-13-10/h4-8H,1-3H3/b11-8-.
What are the key properties of (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide?
(2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide has a molecular weight of 234.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methoxy-N-methyl-3-oxo-2-(pyridin-2-ylmethylidene)butanamide is sourced from PubChem (CID 11550424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).