3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine

C21H23N5O2 — CID 77106564

IUPAC3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2cccc(CN3CCOCC3)c2)cc1-c1nnc(C2CC2)o1
InChIInChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)15-4-5-15)11-17(12-23-19)16-3-1-2-14(10-16)13-26-6-8-27-9-7-26/h1-3,10-12,15H,4-9,13H2,(H2,22,23)
InChIKeyCGJZHIRZCATSCO-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.09
Rot. Bonds5

About 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine

3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine (PubChem CID 77106564) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
PubChem CID77106564
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2cccc(CN3CCOCC3)c2)cc1-c1nnc(C2CC2)o1
InChIInChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)15-4-5-15)11-17(12-23-19)16-3-1-2-14(10-16)13-26-6-8-27-9-7-26/h1-3,10-12,15H,4-9,13H2,(H2,22,23)
InChIKeyCGJZHIRZCATSCO-UHFFFAOYSA-N
XLogP3.09
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine (CID 77106564) is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2cccc(CN3CCOCC3)c2)cc1-c1nnc(C2CC2)o1.
What is the InChIKey of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine?
The InChIKey is CGJZHIRZCATSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)15-4-5-15)11-17(12-23-19)16-3-1-2-14(10-16)13-26-6-8-27-9-7-26/h1-3,10-12,15H,4-9,13H2,(H2,22,23).
What are the key properties of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine?
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine has a molecular weight of 377.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 77106564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).