2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide

C9H7N3O2 — CID 154274407

IUPAC2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide
SMILESN#CC(=CO)C(=O)Nc1ccccn1
InChIInChI=1S/C9H7N3O2/c10-5-7(6-13)9(14)12-8-3-1-2-4-11-8/h1-4,6,13H,(H,11,12,14)
InChIKeyZEJPAECJKUKOQJ-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.99
Rot. Bonds2

About 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide

2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide (PubChem CID 154274407) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide
PubChem CID154274407
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide
SMILESN#CC(=CO)C(=O)Nc1ccccn1
InChIInChI=1S/C9H7N3O2/c10-5-7(6-13)9(14)12-8-3-1-2-4-11-8/h1-4,6,13H,(H,11,12,14)
InChIKeyZEJPAECJKUKOQJ-UHFFFAOYSA-N
XLogP0.99
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'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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Related Compounds

2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 3282838
2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide
CID 5138163
2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 4878324
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(pyridin-2-ylamino)prop-2-enamide
CID 108818677
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-ylprop-2-enamide
CID 2544818
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-pyridin-2-ylprop-2-enamide
CID 25111369
(E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide
CID 53331315
(Z)-2-cyano-N-(4-propan-2-ylphenyl)-3-(pyridin-2-ylamino)prop-2-enamide
CID 108820717
(Z)-2-(cyclopropanecarbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
CID 5458907
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide
CID 108836709

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide (CID 154274407) is 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide is N#CC(=CO)C(=O)Nc1ccccn1.
What is the InChIKey of 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide?
The InChIKey is ZEJPAECJKUKOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-5-7(6-13)9(14)12-8-3-1-2-4-11-8/h1-4,6,13H,(H,11,12,14).
What are the key properties of 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide?
2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide has a molecular weight of 189.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 154274407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).