4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine

C18H24N2O3 — CID 70567354

IUPAC4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine
SMILESCC(C)N.CC(C)n1cc(C(=O)O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C15H15NO3.C3H9N/c1-10(2)16-9-12(15(18)19)14(17)8-13(16)11-6-4-3-5-7-11;1-3(2)4/h3-10H,1-2H3,(H,18,19);3H,4H2,1-2H3
InChIKeyXFSFBZGXFBAIHE-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.15
Rot. Bonds3

About 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine

4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine (PubChem CID 70567354) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine.

Molecular Properties

Compound Name4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine
PubChem CID70567354
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine
SMILESCC(C)N.CC(C)n1cc(C(=O)O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C15H15NO3.C3H9N/c1-10(2)16-9-12(15(18)19)14(17)8-13(16)11-6-4-3-5-7-11;1-3(2)4/h3-10H,1-2H3,(H,18,19);3H,4H2,1-2H3
InChIKeyXFSFBZGXFBAIHE-UHFFFAOYSA-N
XLogP3.15
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine?
The IUPAC name of 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine (CID 70567354) is 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine.
What is the SMILES notation for 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine?
The canonical SMILES for 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine is CC(C)N.CC(C)n1cc(C(=O)O)c(=O)cc1-c1ccccc1.
What is the InChIKey of 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine?
The InChIKey is XFSFBZGXFBAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3.C3H9N/c1-10(2)16-9-12(15(18)19)14(17)8-13(16)11-6-4-3-5-7-11;1-3(2)4/h3-10H,1-2H3,(H,18,19);3H,4H2,1-2H3.
What are the key properties of 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine?
4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine has a molecular weight of 316.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine is sourced from PubChem (CID 70567354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).