N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C17H24N6O3 — CID 46994145

IUPACN-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCN(Cc1nc(COC)no1)C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H24N6O3/c1-3-22(11-15-20-14(12-25-2)21-26-15)16(24)13-5-9-23(10-6-13)17-18-7-4-8-19-17/h4,7-8,13H,3,5-6,9-12H2,1-2H3
InChIKeyVCMIYUCPBHMGND-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.27
Rot. Bonds7

About N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 46994145) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID46994145
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCN(Cc1nc(COC)no1)C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H24N6O3/c1-3-22(11-15-20-14(12-25-2)21-26-15)16(24)13-5-9-23(10-6-13)17-18-7-4-8-19-17/h4,7-8,13H,3,5-6,9-12H2,1-2H3
InChIKeyVCMIYUCPBHMGND-UHFFFAOYSA-N
XLogP1.27
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 46994145) is N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is CCN(Cc1nc(COC)no1)C(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is VCMIYUCPBHMGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-3-22(11-15-20-14(12-25-2)21-26-15)16(24)13-5-9-23(10-6-13)17-18-7-4-8-19-17/h4,7-8,13H,3,5-6,9-12H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 1.27, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46994145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).