(Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide

C12H10ClN3O2 — CID 54719372

IUPAC(Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(Cl)cn1)=C(/O)C1CC1
InChIInChI=1S/C12H10ClN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,17H,1-2H2,(H,15,16,18)/b11-9-
InChIKeyZYAKZTWHZZGVLT-LUAWRHEFSA-N
MW263.68 g/mol
LogP2.42
Rot. Bonds3

About (Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide

(Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide (PubChem CID 54719372) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is (Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
PubChem CID54719372
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name(Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(Cl)cn1)=C(/O)C1CC1
InChIInChI=1S/C12H10ClN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,17H,1-2H2,(H,15,16,18)/b11-9-
InChIKeyZYAKZTWHZZGVLT-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': '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-Acetamido-5-chloropyridine
CID 798653
N-(5-chloropyridin-2-yl)-2-methylpentanamide
CID 2889757
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089
N-(5-Chloro-2-pyridinyl)-3-oxobutanamide
CID 811631
N-(5-chloropyridin-2-yl)hexanamide
CID 3241720
(Z)-N-(5-bromo-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
CID 54685511
(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[5-(trifluoromethyl)pyridin-2-yl]prop-2-enamide
CID 54690643
(Z)-N-(6-chloro-3-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
CID 54702829
N-(5-chloropyridin-2-yl)pentanamide
CID 654702
(E)-3-(2-chlorophenyl)-2-cyano-N-pyridin-2-ylprop-2-enamide
CID 1587771
N-(5-chloropyridin-2-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3370368
6-Chloro-2-hydroxy-1,8-naphthyridine-3-carbonitrile
CID 56773850

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide?
The IUPAC name of (Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide (CID 54719372) is (Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide.
What is the SMILES notation for (Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide?
The canonical SMILES for (Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide is N#C/C(C(=O)Nc1ccc(Cl)cn1)=C(/O)C1CC1.
What is the InChIKey of (Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide?
The InChIKey is ZYAKZTWHZZGVLT-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,17H,1-2H2,(H,15,16,18)/b11-9-.
What are the key properties of (Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide?
(Z)-N-(5-chloro-2-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-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide is sourced from PubChem (CID 54719372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).