(E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide

C13H17N3O2 — CID 167447620

IUPAC(E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide
SMILES[H]/N=C/C(=C\C)C(=O)Nc1cc(CC)cn(C)c1=O
InChIInChI=1S/C13H17N3O2/c1-4-9-6-11(13(18)16(3)8-9)15-12(17)10(5-2)7-14/h5-8,14H,4H2,1-3H3,(H,15,17)/b10-5+,14-7+
InChIKeyGIRVIQGYINGRMN-VDVKIRARSA-N
MW247.30 g/mol
LogP1.48
Rot. Bonds4

About (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide

(E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide (PubChem CID 167447620) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide
PubChem CID167447620
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide
SMILES[H]/N=C/C(=C\C)C(=O)Nc1cc(CC)cn(C)c1=O
InChIInChI=1S/C13H17N3O2/c1-4-9-6-11(13(18)16(3)8-9)15-12(17)10(5-2)7-14/h5-8,14H,4H2,1-3H3,(H,15,17)/b10-5+,14-7+
InChIKeyGIRVIQGYINGRMN-VDVKIRARSA-N
XLogP1.48
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide?
The IUPAC name of (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide (CID 167447620) is (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide.
What is the SMILES notation for (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide?
The canonical SMILES for (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide is [H]/N=C/C(=C\C)C(=O)Nc1cc(CC)cn(C)c1=O.
What is the InChIKey of (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide?
The InChIKey is GIRVIQGYINGRMN-VDVKIRARSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-9-6-11(13(18)16(3)8-9)15-12(17)10(5-2)7-14/h5-8,14H,4H2,1-3H3,(H,15,17)/b10-5+,14-7+.
What are the key properties of (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide?
(E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide has a molecular weight of 247.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide is sourced from PubChem (CID 167447620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).