(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide

C12H11N3O2 — CID 54706939

IUPAC(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide
SMILESN#C/C(C(=O)Nc1ccncc1)=C(/O)C1CC1
InChIInChI=1S/C12H11N3O2/c13-7-10(11(16)8-1-2-8)12(17)15-9-3-5-14-6-4-9/h3-6,8,16H,1-2H2,(H,14,15,17)/b11-10-
InChIKeyMVFWSEUEOADRKZ-KHPPLWFESA-N
MW229.24 g/mol
LogP1.77
Rot. Bonds3

About (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide

(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide (PubChem CID 54706939) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide
PubChem CID54706939
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide
SMILESN#C/C(C(=O)Nc1ccncc1)=C(/O)C1CC1
InChIInChI=1S/C12H11N3O2/c13-7-10(11(16)8-1-2-8)12(17)15-9-3-5-14-6-4-9/h3-6,8,16H,1-2H2,(H,14,15,17)/b11-10-
InChIKeyMVFWSEUEOADRKZ-KHPPLWFESA-N
XLogP1.77
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide (CID 54706939) is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide is N#C/C(C(=O)Nc1ccncc1)=C(/O)C1CC1.
What is the InChIKey of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide?
The InChIKey is MVFWSEUEOADRKZ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H11N3O2/c13-7-10(11(16)8-1-2-8)12(17)15-9-3-5-14-6-4-9/h3-6,8,16H,1-2H2,(H,14,15,17)/b11-10-.
What are the key properties of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide?
(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide has a molecular weight of 229.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 54706939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).