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'}

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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).