5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine

C18H22N6O — CID 70718686

IUPAC5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine
SMILESCc1n[nH]c(C)c1CCN(C)c1ccc(-c2nc(C3CC3)no2)cn1
InChIInChI=1S/C18H22N6O/c1-11-15(12(2)22-21-11)8-9-24(3)16-7-6-14(10-19-16)18-20-17(23-25-18)13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,21,22)
InChIKeyYPVRBOLHGRSGNT-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.03
Rot. Bonds6

About 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine

5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine (PubChem CID 70718686) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine
PubChem CID70718686
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine
SMILESCc1n[nH]c(C)c1CCN(C)c1ccc(-c2nc(C3CC3)no2)cn1
InChIInChI=1S/C18H22N6O/c1-11-15(12(2)22-21-11)8-9-24(3)16-7-6-14(10-19-16)18-20-17(23-25-18)13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,21,22)
InChIKeyYPVRBOLHGRSGNT-UHFFFAOYSA-N
XLogP3.03
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine (CID 70718686) is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine is Cc1n[nH]c(C)c1CCN(C)c1ccc(-c2nc(C3CC3)no2)cn1.
What is the InChIKey of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine?
The InChIKey is YPVRBOLHGRSGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-15(12(2)22-21-11)8-9-24(3)16-7-6-14(10-19-16)18-20-17(23-25-18)13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,21,22).
What are the key properties of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine?
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine has a molecular weight of 338.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 70718686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).