N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

C22H24FN3O3 — CID 122496998

IUPACN-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nccc(-c3ccc(F)cc3)c2C#N)C1
InChIInChI=1S/C22H24FN3O3/c1-14(26-15(2)27)12-28-19-9-16(10-19)13-29-22-21(11-24)20(7-8-25-22)17-3-5-18(23)6-4-17/h3-8,14,16,19H,9-10,12-13H2,1-2H3,(H,26,27)/t14-,16?,19?/m0/s1
InChIKeyPEFPYCZKESSCQD-ASFAAARLSA-N
MW397.45 g/mol
LogP3.46
Rot. Bonds8

About N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122496998) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122496998
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nccc(-c3ccc(F)cc3)c2C#N)C1
InChIInChI=1S/C22H24FN3O3/c1-14(26-15(2)27)12-28-19-9-16(10-19)13-29-22-21(11-24)20(7-8-25-22)17-3-5-18(23)6-4-17/h3-8,14,16,19H,9-10,12-13H2,1-2H3,(H,26,27)/t14-,16?,19?/m0/s1
InChIKeyPEFPYCZKESSCQD-ASFAAARLSA-N
XLogP3.46
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

Propanamide, N-((1S,2S)-2-(3-cyanophenyl)-3-(4-(2-(fluoro-18f)ethoxy)phenyl)-1-methylpropyl)-2-methyl-2-((5-methyl-2-pyridinyl)oxy)-
CID 11213961
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanamide
CID 11167736
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyridin-2-yl]oxypropanamide
CID 11180291
2-[(5-chloro-2-pyridinyl)oxy]-N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methylpropanamide
CID 11432207
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide
CID 11432710
MK-9470
CID 11488705
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
3-Methyl-4-(piperidin-4-yl)-2-[2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]pyridine
CID 25263340
N-[(1S,2S)-2-(3-cyano-5-fluorophenyl)-3-(4-methoxyphenyl)-1-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
CID 16748196
N-[(2S,3S)-3-(3-cyano-5-fluorophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 16748318
N-{(1S,2S)-2-(3-cyanophenyl)-3-[4-(2-fluoroethoxy)phenyl]-1-methylpropyl}-2-methyl-2-(pyridin-2-yloxy)propanamide
CID 11294476

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122496998) is N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(COc2nccc(-c3ccc(F)cc3)c2C#N)C1.
What is the InChIKey of N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is PEFPYCZKESSCQD-ASFAAARLSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-14(26-15(2)27)12-28-19-9-16(10-19)13-29-22-21(11-24)20(7-8-25-22)17-3-5-18(23)6-4-17/h3-8,14,16,19H,9-10,12-13H2,1-2H3,(H,26,27)/t14-,16?,19?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 397.45 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[[3-cyano-4-(4-fluorophenyl)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122496998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).