N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine

C21H25N5O — CID 45191025

IUPACN,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)C1
InChIInChI=1S/C21H25N5O/c1-25(2)18-12-13-26(15-18)20-11-9-17(14-22-20)21-23-19(24-27-21)10-8-16-6-4-3-5-7-16/h3-7,9,11,14,18H,8,10,12-13,15H2,1-2H3
InChIKeyXLCFWTOYAKLXKZ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.06
Rot. Bonds6

About N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine

N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 45191025) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
PubChem CID45191025
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)C1
InChIInChI=1S/C21H25N5O/c1-25(2)18-12-13-26(15-18)20-11-9-17(14-22-20)21-23-19(24-27-21)10-8-16-6-4-3-5-7-16/h3-7,9,11,14,18H,8,10,12-13,15H2,1-2H3
InChIKeyXLCFWTOYAKLXKZ-UHFFFAOYSA-N
XLogP3.06
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine (CID 45191025) is N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine is CN(C)C1CCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)C1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is XLCFWTOYAKLXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25(2)18-12-13-26(15-18)20-11-9-17(14-22-20)21-23-19(24-27-21)10-8-16-6-4-3-5-7-16/h3-7,9,11,14,18H,8,10,12-13,15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 363.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 45191025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).