(Z)-4-imino-3-pyridin-4-ylbut-2-enamide

C9H9N3O — CID 146400466

IUPAC(Z)-4-imino-3-pyridin-4-ylbut-2-enamide
SMILES[H]/N=C/C(=C\C(N)=O)c1ccncc1
InChIInChI=1S/C9H9N3O/c10-6-8(5-9(11)13)7-1-3-12-4-2-7/h1-6,10H,(H2,11,13)/b8-5+,10-6+
InChIKeyYHBURBZPFZESHH-YLDLMLGBSA-N
MW175.19 g/mol
LogP0.60
Rot. Bonds3

About (Z)-4-imino-3-pyridin-4-ylbut-2-enamide

(Z)-4-imino-3-pyridin-4-ylbut-2-enamide (PubChem CID 146400466) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (Z)-4-imino-3-pyridin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4-imino-3-pyridin-4-ylbut-2-enamide
PubChem CID146400466
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(Z)-4-imino-3-pyridin-4-ylbut-2-enamide
SMILES[H]/N=C/C(=C\C(N)=O)c1ccncc1
InChIInChI=1S/C9H9N3O/c10-6-8(5-9(11)13)7-1-3-12-4-2-7/h1-6,10H,(H2,11,13)/b8-5+,10-6+
InChIKeyYHBURBZPFZESHH-YLDLMLGBSA-N
XLogP0.60
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (Z)-4-imino-3-pyridin-4-ylbut-2-enamide?
The IUPAC name of (Z)-4-imino-3-pyridin-4-ylbut-2-enamide (CID 146400466) is (Z)-4-imino-3-pyridin-4-ylbut-2-enamide.
What is the SMILES notation for (Z)-4-imino-3-pyridin-4-ylbut-2-enamide?
The canonical SMILES for (Z)-4-imino-3-pyridin-4-ylbut-2-enamide is [H]/N=C/C(=C\C(N)=O)c1ccncc1.
What is the InChIKey of (Z)-4-imino-3-pyridin-4-ylbut-2-enamide?
The InChIKey is YHBURBZPFZESHH-YLDLMLGBSA-N. The full InChI is InChI=1S/C9H9N3O/c10-6-8(5-9(11)13)7-1-3-12-4-2-7/h1-6,10H,(H2,11,13)/b8-5+,10-6+.
What are the key properties of (Z)-4-imino-3-pyridin-4-ylbut-2-enamide?
(Z)-4-imino-3-pyridin-4-ylbut-2-enamide has a molecular weight of 175.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-pyridin-4-ylbut-2-enamide is sourced from PubChem (CID 146400466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).