5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine

C23H18N6O — CID 23644870

IUPAC5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine
SMILESc1cnc(CCc2ccncc2)c(-c2nnc(Nc3cnc4ccccc4c3)o2)c1
InChIInChI=1S/C23H18N6O/c1-2-6-20-17(4-1)14-18(15-26-20)27-23-29-28-22(30-23)19-5-3-11-25-21(19)8-7-16-9-12-24-13-10-16/h1-6,9-15H,7-8H2,(H,27,29)
InChIKeyYDONUDAXZBQSMV-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.60
Rot. Bonds6

About 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine

5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 23644870) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID23644870
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine
SMILESc1cnc(CCc2ccncc2)c(-c2nnc(Nc3cnc4ccccc4c3)o2)c1
InChIInChI=1S/C23H18N6O/c1-2-6-20-17(4-1)14-18(15-26-20)27-23-29-28-22(30-23)19-5-3-11-25-21(19)8-7-16-9-12-24-13-10-16/h1-6,9-15H,7-8H2,(H,27,29)
InChIKeyYDONUDAXZBQSMV-UHFFFAOYSA-N
XLogP4.60
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine (CID 23644870) is 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine is c1cnc(CCc2ccncc2)c(-c2nnc(Nc3cnc4ccccc4c3)o2)c1.
What is the InChIKey of 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is YDONUDAXZBQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-2-6-20-17(4-1)14-18(15-26-20)27-23-29-28-22(30-23)19-5-3-11-25-21(19)8-7-16-9-12-24-13-10-16/h1-6,9-15H,7-8H2,(H,27,29).
What are the key properties of 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine?
5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 394.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-quinolin-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).