2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide

C18H23N3O3 — CID 102560661

IUPAC2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide
SMILESCC(C)Oc1cccc(C(=O)C(C#N)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H23N3O3/c1-12(2)24-16-10-6-9-15(21-16)17(22)14(11-19)18(23)20-13-7-4-3-5-8-13/h6,9-10,12-14H,3-5,7-8H2,1-2H3,(H,20,23)
InChIKeyZYJAWQWGOWJFOR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.64
Rot. Bonds6

About 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide

2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide (PubChem CID 102560661) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide
PubChem CID102560661
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide
SMILESCC(C)Oc1cccc(C(=O)C(C#N)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H23N3O3/c1-12(2)24-16-10-6-9-15(21-16)17(22)14(11-19)18(23)20-13-7-4-3-5-8-13/h6,9-10,12-14H,3-5,7-8H2,1-2H3,(H,20,23)
InChIKeyZYJAWQWGOWJFOR-UHFFFAOYSA-N
XLogP2.64
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
(E,2S)-2-cyano-N-cyclopentyl-6-(2-methoxyphenyl)-5-methyl-3-oxohex-4-enamide
CID 98184686
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
CID 98431549
(2R)-2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 94189765
2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 47052901
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109095382
2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide
CID 60554785
methyl 6-cycloheptyloxypyridine-2-carboxylate
CID 86694648
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide?
The IUPAC name of 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide (CID 102560661) is 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide is CC(C)Oc1cccc(C(=O)C(C#N)C(=O)NC2CCCCC2)n1.
What is the InChIKey of 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide?
The InChIKey is ZYJAWQWGOWJFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)24-16-10-6-9-15(21-16)17(22)14(11-19)18(23)20-13-7-4-3-5-8-13/h6,9-10,12-14H,3-5,7-8H2,1-2H3,(H,20,23).
What are the key properties of 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide?
2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-3-oxo-3-(6-propan-2-yloxy-2-pyridinyl)propanamide is sourced from PubChem (CID 102560661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).