5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine

C22H26FN5O — CID 95056749

IUPAC5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine
SMILESC[C@@H]1CCCN(CCCNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)C1
InChIInChI=1S/C22H26FN5O/c1-16-5-3-11-28(15-16)12-4-10-24-20-9-8-18(14-25-20)22-26-21(27-29-22)17-6-2-7-19(23)13-17/h2,6-9,13-14,16H,3-5,10-12,15H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyVBEMISLAEQGBCT-MRXNPFEDSA-N
MW395.48 g/mol
LogP4.47
Rot. Bonds7

About 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine

5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine (PubChem CID 95056749) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine
PubChem CID95056749
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine
SMILESC[C@@H]1CCCN(CCCNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)C1
InChIInChI=1S/C22H26FN5O/c1-16-5-3-11-28(15-16)12-4-10-24-20-9-8-18(14-25-20)22-26-21(27-29-22)17-6-2-7-19(23)13-17/h2,6-9,13-14,16H,3-5,10-12,15H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyVBEMISLAEQGBCT-MRXNPFEDSA-N
XLogP4.47
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine
CID 95056750
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridin-2-amine
CID 53126785
N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 53126789
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 53126788
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 53126758
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 53037214
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
3-(3-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359325
3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92730251
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133465108
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 46385501

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine?
The IUPAC name of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine (CID 95056749) is 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine is C[C@@H]1CCCN(CCCNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)C1.
What is the InChIKey of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine?
The InChIKey is VBEMISLAEQGBCT-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-16-5-3-11-28(15-16)12-4-10-24-20-9-8-18(14-25-20)22-26-21(27-29-22)17-6-2-7-19(23)13-17/h2,6-9,13-14,16H,3-5,10-12,15H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine?
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine has a molecular weight of 395.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine is sourced from PubChem (CID 95056749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).