6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide

C22H24FN3O2 — CID 58533772

IUPAC6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(COc2cc(F)cc(C#N)c2)nc1)C1CCCCC1
InChIInChI=1S/C22H24FN3O2/c1-15(17-5-3-2-4-6-17)26-22(27)18-7-8-20(25-13-18)14-28-21-10-16(12-24)9-19(23)11-21/h7-11,13,15,17H,2-6,14H2,1H3,(H,26,27)/t15-/m0/s1
InChIKeyWXQADUAKFOBYBM-HNNXBMFYSA-N
MW381.45 g/mol
LogP4.37
Rot. Bonds6

About 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide

6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide (PubChem CID 58533772) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide
PubChem CID58533772
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(COc2cc(F)cc(C#N)c2)nc1)C1CCCCC1
InChIInChI=1S/C22H24FN3O2/c1-15(17-5-3-2-4-6-17)26-22(27)18-7-8-20(25-13-18)14-28-21-10-16(12-24)9-19(23)11-21/h7-11,13,15,17H,2-6,14H2,1H3,(H,26,27)/t15-/m0/s1
InChIKeyWXQADUAKFOBYBM-HNNXBMFYSA-N
XLogP4.37
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide (CID 58533772) is 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc(COc2cc(F)cc(C#N)c2)nc1)C1CCCCC1.
What is the InChIKey of 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide?
The InChIKey is WXQADUAKFOBYBM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15(17-5-3-2-4-6-17)26-22(27)18-7-8-20(25-13-18)14-28-21-10-16(12-24)9-19(23)11-21/h7-11,13,15,17H,2-6,14H2,1H3,(H,26,27)/t15-/m0/s1.
What are the key properties of 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide?
6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-cyano-5-fluorophenoxy)methyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58533772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).