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

C13H17N5O — CID 51136953

IUPACN,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCN(C)c1ccc(-c2noc([C@@H]3CCCN3)n2)cn1
InChIInChI=1S/C13H17N5O/c1-18(2)11-6-5-9(8-15-11)12-16-13(19-17-12)10-4-3-7-14-10/h5-6,8,10,14H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyHUHRRRVLXQXNSN-JTQLQIEISA-N
MW259.31 g/mol
LogP1.62
Rot. Bonds3

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

N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 51136953) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID51136953
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCN(C)c1ccc(-c2noc([C@@H]3CCCN3)n2)cn1
InChIInChI=1S/C13H17N5O/c1-18(2)11-6-5-9(8-15-11)12-16-13(19-17-12)10-4-3-7-14-10/h5-6,8,10,14H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyHUHRRRVLXQXNSN-JTQLQIEISA-N
XLogP1.62
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 51136953) is N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is CN(C)c1ccc(-c2noc([C@@H]3CCCN3)n2)cn1.
What is the InChIKey of N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is HUHRRRVLXQXNSN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O/c1-18(2)11-6-5-9(8-15-11)12-16-13(19-17-12)10-4-3-7-14-10/h5-6,8,10,14H,3-4,7H2,1-2H3/t10-/m0/s1.
What are the key properties of N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 51136953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).