4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

C20H21FN2O4 — CID 120674574

IUPAC4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C20H21FN2O4/c21-16-9-3-13(4-10-16)12-23-11-1-2-17(19(23)25)22-18(24)14-5-7-15(8-6-14)20(26)27/h1-4,9-11,14-15H,5-8,12H2,(H,22,24)(H,26,27)
InChIKeyHLCZBLVZCPYCNC-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.87
Rot. Bonds5

About 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674574) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674574
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C20H21FN2O4/c21-16-9-3-13(4-10-16)12-23-11-1-2-17(19(23)25)22-18(24)14-5-7-15(8-6-14)20(26)27/h1-4,9-11,14-15H,5-8,12H2,(H,22,24)(H,26,27)
InChIKeyHLCZBLVZCPYCNC-UHFFFAOYSA-N
XLogP2.87
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120674574) is 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is HLCZBLVZCPYCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c21-16-9-3-13(4-10-16)12-23-11-1-2-17(19(23)25)22-18(24)14-5-7-15(8-6-14)20(26)27/h1-4,9-11,14-15H,5-8,12H2,(H,22,24)(H,26,27).
What are the key properties of 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).