(Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide

C12H10ClN3O2 — CID 54702829

IUPAC(Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(Cl)nc1)=C(/O)C1CC1
InChIInChI=1S/C12H10ClN3O2/c13-10-4-3-8(6-15-10)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,17H,1-2H2,(H,16,18)/b11-9-
InChIKeyXAPLSVBFZJOCOL-LUAWRHEFSA-N
MW263.68 g/mol
LogP2.42
Rot. Bonds3

About (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide

(Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide (PubChem CID 54702829) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
PubChem CID54702829
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name(Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(Cl)nc1)=C(/O)C1CC1
InChIInChI=1S/C12H10ClN3O2/c13-10-4-3-8(6-15-10)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,17H,1-2H2,(H,16,18)/b11-9-
InChIKeyXAPLSVBFZJOCOL-LUAWRHEFSA-N
XLogP2.42
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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'}

Analyze (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide with MolForge

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Related Compounds

N-(2-chloropyridin-3-yl)butanamide
CID 836741
(2E)-3-(4-chlorophenyl)-2-cyano-N-(pyridin-3-yl)prop-2-enamide
CID 5548040
(Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
CID 54719372
(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-ylprop-2-enamide
CID 54706939
N-(6-chloro-3-pyridinyl)-2,2-dimethylbutanamide
CID 60255464
N-(6-Chloropyridin-3-YL)pivalamide
CID 15592370
(2E,4Z)-5-chloro-N-(6-chloro-3-pyridinyl)-4-fluoro-2-methylhepta-2,4,6-trienamide
CID 89311633
(2Z)-N-(6-chloro-5-fluoro-3-pyridinyl)-2-[fluoro-(methylideneamino)methylidene]but-3-enamide
CID 177336286
N-(2-chloro-3-pyridinyl)propanamide
CID 821593
N-(2-chloropyridin-3-yl)-3-methylbutanamide
CID 836744
N-(6-chloro-3-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 53567082
N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106741317

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide?
The IUPAC name of (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide (CID 54702829) is (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide.
What is the SMILES notation for (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide?
The canonical SMILES for (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide is N#C/C(C(=O)Nc1ccc(Cl)nc1)=C(/O)C1CC1.
What is the InChIKey of (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide?
The InChIKey is XAPLSVBFZJOCOL-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-10-4-3-8(6-15-10)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,17H,1-2H2,(H,16,18)/b11-9-.
What are the key properties of (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide?
(Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide has a molecular weight of 263.68 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide is sourced from PubChem (CID 54702829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).