9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate

C24H20N2O3 — CID 8784313

IUPAC9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20N2O3/c1-14-16(15(2)26-24(28)21(14)13-25)11-12-22(27)29-23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,23H,11-12H2,1-2H3,(H,26,28)
InChIKeyHWTHKDDTKDXOBY-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.11
Rot. Bonds4

About 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate

9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate (PubChem CID 8784313) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
PubChem CID8784313
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20N2O3/c1-14-16(15(2)26-24(28)21(14)13-25)11-12-22(27)29-23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,23H,11-12H2,1-2H3,(H,26,28)
InChIKeyHWTHKDDTKDXOBY-UHFFFAOYSA-N
XLogP4.11
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
The IUPAC name of 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate (CID 8784313) is 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate.
What is the SMILES notation for 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
The canonical SMILES for 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
The InChIKey is HWTHKDDTKDXOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-14-16(15(2)26-24(28)21(14)13-25)11-12-22(27)29-23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,23H,11-12H2,1-2H3,(H,26,28).
What are the key properties of 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate has a molecular weight of 384.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate is sourced from PubChem (CID 8784313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).