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

C21H23N5O2 — CID 77105957

IUPAC3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(CN3CCOCC3)cc2)cc1-c1nnc(C2CC2)o1
InChIInChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)16-5-6-16)11-17(12-23-19)15-3-1-14(2-4-15)13-26-7-9-27-10-8-26/h1-4,11-12,16H,5-10,13H2,(H2,22,23)
InChIKeyVQOHGDAJYZQILI-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.09
Rot. Bonds5

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

3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine (PubChem CID 77105957) 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-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
PubChem CID77105957
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(CN3CCOCC3)cc2)cc1-c1nnc(C2CC2)o1
InChIInChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)16-5-6-16)11-17(12-23-19)15-3-1-14(2-4-15)13-26-7-9-27-10-8-26/h1-4,11-12,16H,5-10,13H2,(H2,22,23)
InChIKeyVQOHGDAJYZQILI-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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine (CID 77105957) is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(CN3CCOCC3)cc2)cc1-c1nnc(C2CC2)o1.
What is the InChIKey of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine?
The InChIKey is VQOHGDAJYZQILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)16-5-6-16)11-17(12-23-19)15-3-1-14(2-4-15)13-26-7-9-27-10-8-26/h1-4,11-12,16H,5-10,13H2,(H2,22,23).
What are the key properties of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine?
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[4-(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-[4-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 77105957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).