N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide

C21H25FN2O3 — CID 72914394

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide
SMILESCOc1cccn(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1=O
InChIInChI=1S/C21H25FN2O3/c1-27-19-8-5-13-23(21(19)26)15-20(25)24(18-6-3-2-4-7-18)14-16-9-11-17(22)12-10-16/h5,8-13,18H,2-4,6-7,14-15H2,1H3
InChIKeyVNVSNGNOIIMIAR-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.36
Rot. Bonds6

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide (PubChem CID 72914394) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide
PubChem CID72914394
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide
SMILESCOc1cccn(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1=O
InChIInChI=1S/C21H25FN2O3/c1-27-19-8-5-13-23(21(19)26)15-20(25)24(18-6-3-2-4-7-18)14-16-9-11-17(22)12-10-16/h5,8-13,18H,2-4,6-7,14-15H2,1H3
InChIKeyVNVSNGNOIIMIAR-UHFFFAOYSA-N
XLogP3.36
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide (CID 72914394) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide is COc1cccn(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1=O.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide?
The InChIKey is VNVSNGNOIIMIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-27-19-8-5-13-23(21(19)26)15-20(25)24(18-6-3-2-4-7-18)14-16-9-11-17(22)12-10-16/h5,8-13,18H,2-4,6-7,14-15H2,1H3.
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide has a molecular weight of 372.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 72914394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).