5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

C20H23N5O2 — CID 77105959

IUPAC5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1cccc(-c2cnc(N)c(-c3nnc(C4CCN(C)CC4)o3)c2)c1
InChIInChI=1S/C20H23N5O2/c1-25-8-6-13(7-9-25)19-23-24-20(27-19)17-11-15(12-22-18(17)21)14-4-3-5-16(10-14)26-2/h3-5,10-13H,6-9H2,1-2H3,(H2,21,22)
InChIKeyKYGZWXTXFXRVSC-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.20
Rot. Bonds4

About 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 77105959) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID77105959
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1cccc(-c2cnc(N)c(-c3nnc(C4CCN(C)CC4)o3)c2)c1
InChIInChI=1S/C20H23N5O2/c1-25-8-6-13(7-9-25)19-23-24-20(27-19)17-11-15(12-22-18(17)21)14-4-3-5-16(10-14)26-2/h3-5,10-13H,6-9H2,1-2H3,(H2,21,22)
InChIKeyKYGZWXTXFXRVSC-UHFFFAOYSA-N
XLogP3.20
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 77105959) is 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is COc1cccc(-c2cnc(N)c(-c3nnc(C4CCN(C)CC4)o3)c2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is KYGZWXTXFXRVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25-8-6-13(7-9-25)19-23-24-20(27-19)17-11-15(12-22-18(17)21)14-4-3-5-16(10-14)26-2/h3-5,10-13H,6-9H2,1-2H3,(H2,21,22).
What are the key properties of 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 77105959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).