3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide

C11H13N3O2 — CID 54265002

IUPAC3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
SMILESCC(=O)CC(=O)NN=C(C)c1ccncc1
InChIInChI=1S/C11H13N3O2/c1-8(15)7-11(16)14-13-9(2)10-3-5-12-6-4-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyRGDLNKRXZSNTOL-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.90
Rot. Bonds4

About 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide

3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide (PubChem CID 54265002) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide.

Molecular Properties

Compound Name3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
PubChem CID54265002
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
SMILESCC(=O)CC(=O)NN=C(C)c1ccncc1
InChIInChI=1S/C11H13N3O2/c1-8(15)7-11(16)14-13-9(2)10-3-5-12-6-4-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyRGDLNKRXZSNTOL-UHFFFAOYSA-N
XLogP0.90
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium
CID 54047416
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide
CID 4507277
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 6054179
2-phenylacetic acid;N-(1-pyridin-4-ylethylideneamino)butanamide
CID 161253554
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 9121387
2-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 45133713

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide?
The IUPAC name of 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide (CID 54265002) is 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide.
What is the SMILES notation for 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide?
The canonical SMILES for 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide is CC(=O)CC(=O)NN=C(C)c1ccncc1.
What is the InChIKey of 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide?
The InChIKey is RGDLNKRXZSNTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(15)7-11(16)14-13-9(2)10-3-5-12-6-4-10/h3-6H,7H2,1-2H3,(H,14,16).
What are the key properties of 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide?
3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide has a molecular weight of 219.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide is sourced from PubChem (CID 54265002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).