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

C16H23N5O — CID 75373753

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
SMILESCc1nc(CN(C)C2CCN(CCc3ccccn3)C2)no1
InChIInChI=1S/C16H23N5O/c1-13-18-16(19-22-13)12-20(2)15-7-10-21(11-15)9-6-14-5-3-4-8-17-14/h3-5,8,15H,6-7,9-12H2,1-2H3
InChIKeyBQBZDQJFLVYTAF-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.52
Rot. Bonds6

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

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine (PubChem CID 75373753) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
PubChem CID75373753
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
SMILESCc1nc(CN(C)C2CCN(CCc3ccccn3)C2)no1
InChIInChI=1S/C16H23N5O/c1-13-18-16(19-22-13)12-20(2)15-7-10-21(11-15)9-6-14-5-3-4-8-17-14/h3-5,8,15H,6-7,9-12H2,1-2H3
InChIKeyBQBZDQJFLVYTAF-UHFFFAOYSA-N
XLogP1.52
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-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 N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine (CID 75373753) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine is Cc1nc(CN(C)C2CCN(CCc3ccccn3)C2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine?
The InChIKey is BQBZDQJFLVYTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13-18-16(19-22-13)12-20(2)15-7-10-21(11-15)9-6-14-5-3-4-8-17-14/h3-5,8,15H,6-7,9-12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine has a molecular weight of 301.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 75373753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).