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

C18H25N5O2 — CID 71872468

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1nc(CN(C(C)=O)C2CCN(CCc3ccccn3)C2)no1
InChIInChI=1S/C18H25N5O2/c1-3-18-20-17(21-25-18)13-23(14(2)24)16-8-11-22(12-16)10-7-15-6-4-5-9-19-15/h4-6,9,16H,3,7-8,10-13H2,1-2H3
InChIKeyQKRAZYHHGRPSKQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.69
Rot. Bonds7

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 71872468) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide
PubChem CID71872468
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1nc(CN(C(C)=O)C2CCN(CCc3ccccn3)C2)no1
InChIInChI=1S/C18H25N5O2/c1-3-18-20-17(21-25-18)13-23(14(2)24)16-8-11-22(12-16)10-7-15-6-4-5-9-19-15/h4-6,9,16H,3,7-8,10-13H2,1-2H3
InChIKeyQKRAZYHHGRPSKQ-UHFFFAOYSA-N
XLogP1.69
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide (CID 71872468) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide is CCc1nc(CN(C(C)=O)C2CCN(CCc3ccccn3)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is QKRAZYHHGRPSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-18-20-17(21-25-18)13-23(14(2)24)16-8-11-22(12-16)10-7-15-6-4-5-9-19-15/h4-6,9,16H,3,7-8,10-13H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).