N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

C22H26FN5O2 — CID 55848686

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCN(CC)c1ccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C22H26FN5O2/c1-3-28(4-2)19-13-8-16(14-24-19)15-25-20(29)6-5-7-21-26-22(27-30-21)17-9-11-18(23)12-10-17/h8-14H,3-7,15H2,1-2H3,(H,25,29)
InChIKeyVFMRNERARDYGMM-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.76
Rot. Bonds10

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 55848686) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID55848686
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCN(CC)c1ccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C22H26FN5O2/c1-3-28(4-2)19-13-8-16(14-24-19)15-25-20(29)6-5-7-21-26-22(27-30-21)17-9-11-18(23)12-10-17/h8-14H,3-7,15H2,1-2H3,(H,25,29)
InChIKeyVFMRNERARDYGMM-UHFFFAOYSA-N
XLogP3.76
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55973374
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 46453199
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)butanamide
CID 78874390
N-(2-amino-2-methylpropyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119628613
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butanamide
CID 47087997
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]butanamide
CID 55713460
methyl 4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoate
CID 39704791
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 110632193

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 55848686) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is CCN(CC)c1ccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is VFMRNERARDYGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-3-28(4-2)19-13-8-16(14-24-19)15-25-20(29)6-5-7-21-26-22(27-30-21)17-9-11-18(23)12-10-17/h8-14H,3-7,15H2,1-2H3,(H,25,29).
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 411.48 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 55848686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).