N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide

C23H27FN2O — CID 167701360

IUPACN-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccc(C2CCCCC2)nc1)c1ccccc1F
InChIInChI=1S/C23H27FN2O/c24-20-11-4-5-12-22(20)26(23(27)19-9-6-10-19)16-17-13-14-21(25-15-17)18-7-2-1-3-8-18/h4-5,11-15,18-19H,1-3,6-10,16H2
InChIKeyOADYMAOQHRZODR-UHFFFAOYSA-N
MW366.48 g/mol
LogP5.60
Rot. Bonds5

About N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide

N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide (PubChem CID 167701360) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide
PubChem CID167701360
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC NameN-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccc(C2CCCCC2)nc1)c1ccccc1F
InChIInChI=1S/C23H27FN2O/c24-20-11-4-5-12-22(20)26(23(27)19-9-6-10-19)16-17-13-14-21(25-15-17)18-7-2-1-3-8-18/h4-5,11-15,18-19H,1-3,6-10,16H2
InChIKeyOADYMAOQHRZODR-UHFFFAOYSA-N
XLogP5.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide?
The IUPAC name of N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide (CID 167701360) is N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide?
The canonical SMILES for N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide is O=C(C1CCC1)N(Cc1ccc(C2CCCCC2)nc1)c1ccccc1F.
What is the InChIKey of N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide?
The InChIKey is OADYMAOQHRZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c24-20-11-4-5-12-22(20)26(23(27)19-9-6-10-19)16-17-13-14-21(25-15-17)18-7-2-1-3-8-18/h4-5,11-15,18-19H,1-3,6-10,16H2.
What are the key properties of N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide?
N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide has a molecular weight of 366.48 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide is sourced from PubChem (CID 167701360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).