1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide

C17H25N5O2 — CID 138035350

IUPAC1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc(CN3CCCCC3)no2)c(C)n1C
InChIInChI=1S/C17H25N5O2/c1-12-9-14(13(2)21(12)3)17(23)18-10-16-19-15(20-24-16)11-22-7-5-4-6-8-22/h9H,4-8,10-11H2,1-3H3,(H,18,23)
InChIKeyCADLKKYNORWCKK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.94
Rot. Bonds5

About 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide

1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide (PubChem CID 138035350) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide
PubChem CID138035350
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc(CN3CCCCC3)no2)c(C)n1C
InChIInChI=1S/C17H25N5O2/c1-12-9-14(13(2)21(12)3)17(23)18-10-16-19-15(20-24-16)11-22-7-5-4-6-8-22/h9H,4-8,10-11H2,1-3H3,(H,18,23)
InChIKeyCADLKKYNORWCKK-UHFFFAOYSA-N
XLogP1.94
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide (CID 138035350) is 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NCc2nc(CN3CCCCC3)no2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide?
The InChIKey is CADLKKYNORWCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-9-14(13(2)21(12)3)17(23)18-10-16-19-15(20-24-16)11-22-7-5-4-6-8-22/h9H,4-8,10-11H2,1-3H3,(H,18,23).
What are the key properties of 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide?
1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 138035350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).