4-(5-formyl-3-pyridinyl)but-3-enamide

C10H10N2O2 — CID 170797651

IUPAC4-(5-formyl-3-pyridinyl)but-3-enamide
SMILESNC(=O)CC=Cc1cncc(C=O)c1
InChIInChI=1S/C10H10N2O2/c11-10(14)3-1-2-8-4-9(7-13)6-12-5-8/h1-2,4-7H,3H2,(H2,11,14)
InChIKeyFQJUPFMVTOAJQQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.78
Rot. Bonds4

About 4-(5-formyl-3-pyridinyl)but-3-enamide

4-(5-formyl-3-pyridinyl)but-3-enamide (PubChem CID 170797651) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-(5-formyl-3-pyridinyl)but-3-enamide.

Molecular Properties

Compound Name4-(5-formyl-3-pyridinyl)but-3-enamide
PubChem CID170797651
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-(5-formyl-3-pyridinyl)but-3-enamide
SMILESNC(=O)CC=Cc1cncc(C=O)c1
InChIInChI=1S/C10H10N2O2/c11-10(14)3-1-2-8-4-9(7-13)6-12-5-8/h1-2,4-7H,3H2,(H2,11,14)
InChIKeyFQJUPFMVTOAJQQ-UHFFFAOYSA-N
XLogP0.78
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
CID 170797876
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
4-(5-bromo-3-pyridinyl)but-3-enoic acid
CID 170484556
4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
CID 170797688
4-(5-chloro-3-pyridinyl)but-3-enoic acid
CID 170483048
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-(1-methylpyrazol-4-yl)but-3-enamide
CID 170797292
4-(6-methylpyrazin-2-yl)but-3-enamide
CID 170797338
5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide
CID 169477771
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371

Frequently Asked Questions

What is the IUPAC name of 4-(5-formyl-3-pyridinyl)but-3-enamide?
The IUPAC name of 4-(5-formyl-3-pyridinyl)but-3-enamide (CID 170797651) is 4-(5-formyl-3-pyridinyl)but-3-enamide.
What is the SMILES notation for 4-(5-formyl-3-pyridinyl)but-3-enamide?
The canonical SMILES for 4-(5-formyl-3-pyridinyl)but-3-enamide is NC(=O)CC=Cc1cncc(C=O)c1.
What is the InChIKey of 4-(5-formyl-3-pyridinyl)but-3-enamide?
The InChIKey is FQJUPFMVTOAJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-10(14)3-1-2-8-4-9(7-13)6-12-5-8/h1-2,4-7H,3H2,(H2,11,14).
What are the key properties of 4-(5-formyl-3-pyridinyl)but-3-enamide?
4-(5-formyl-3-pyridinyl)but-3-enamide has a molecular weight of 190.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formyl-3-pyridinyl)but-3-enamide is sourced from PubChem (CID 170797651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).