(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide

C13H10F3N3O2 — CID 54690643

IUPAC(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(C(F)(F)F)cn1)=C(/O)C1CC1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,20H,1-2H2,(H,18,19,21)/b11-9-
InChIKeyXOVNVZLAHBIRPE-LUAWRHEFSA-N
MW297.24 g/mol
LogP2.78
Rot. Bonds3

About (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide

(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide (PubChem CID 54690643) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
PubChem CID54690643
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(C(F)(F)F)cn1)=C(/O)C1CC1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,20H,1-2H2,(H,18,19,21)/b11-9-
InChIKeyXOVNVZLAHBIRPE-LUAWRHEFSA-N
XLogP2.78
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.78
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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Related Compounds

3-Hydroxy-1,2-dihydro-1,8-naphthyridin-2-one
CID 20317991
6-Methoxy-2-((3-(trifluoromethyl)pyridin-2-yl)amino)pyrimidin-4-ol
CID 57495160
Htpu (ssre-020)
CID 139596377
(E)-2-cyano-3-(4-fluorophenyl)-N-(pyridin-2-yl)acrylamide
CID 5396610
(2E)-2-cyano-3-phenyl-N-(pyridin-2-yl)prop-2-enamide
CID 948676
2-Acetamido-3-methylpyridine
CID 268295
N-[2,2,2-Trifluoro-1-(4-methyl-pyridin-2-ylamino)-1-trifluoromethyl-ethyl]-isobutyramide
CID 913318
(Z)-N-(5-bromo-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
CID 54685511
(Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
CID 54719372
N-[4-(1-methyl-2-oxo-4-pyridinyl)-2-pyridinyl]cyclopropanecarboxamide
CID 168294116
N-[2,2,2-trifluoro-1-[(4-methyl-2-pyridinyl)amino]-1-(trifluoromethyl)ethyl]propanamide
CID 703597
N-(5-Methyl-2-pyridyl)acetamide
CID 818995

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide (CID 54690643) is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide is N#C/C(C(=O)Nc1ccc(C(F)(F)F)cn1)=C(/O)C1CC1.
What is the InChIKey of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide?
The InChIKey is XOVNVZLAHBIRPE-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,20H,1-2H2,(H,18,19,21)/b11-9-.
What are the key properties of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide?
(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide has a molecular weight of 297.24 g/mol, XLogP of 2.78, 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-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 54690643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).