1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide

C18H21N3O — CID 82520398

IUPAC1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(C(C)C)cc2)n(C2CC2)c1=O
InChIInChI=1S/C18H21N3O/c1-11(2)12-3-5-13(6-4-12)16-10-9-15(17(19)20)18(22)21(16)14-7-8-14/h3-6,9-11,14H,7-8H2,1-2H3,(H3,19,20)
InChIKeyKEGBPRNBZKGZPZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.26
Rot. Bonds4

About 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide

1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide (PubChem CID 82520398) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide
PubChem CID82520398
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(C(C)C)cc2)n(C2CC2)c1=O
InChIInChI=1S/C18H21N3O/c1-11(2)12-3-5-13(6-4-12)16-10-9-15(17(19)20)18(22)21(16)14-7-8-14/h3-6,9-11,14H,7-8H2,1-2H3,(H3,19,20)
InChIKeyKEGBPRNBZKGZPZ-UHFFFAOYSA-N
XLogP3.26
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide?
The IUPAC name of 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide (CID 82520398) is 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide.
What is the SMILES notation for 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide?
The canonical SMILES for 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(C(C)C)cc2)n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide?
The InChIKey is KEGBPRNBZKGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-11(2)12-3-5-13(6-4-12)16-10-9-15(17(19)20)18(22)21(16)14-7-8-14/h3-6,9-11,14H,7-8H2,1-2H3,(H3,19,20).
What are the key properties of 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide?
1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide has a molecular weight of 295.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 82520398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).