N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide

C17H23N5O3 — CID 53175257

IUPACN-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(-c2ccnc(N3CCC(C)CC3)c2)no1
InChIInChI=1S/C17H23N5O3/c1-12-4-8-22(9-5-12)14-11-13(3-6-18-14)15-20-17(25-21-15)16(23)19-7-10-24-2/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,19,23)
InChIKeyBGPZYEKGJOCOTL-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.74
Rot. Bonds6

About N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide

N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53175257) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53175257
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(-c2ccnc(N3CCC(C)CC3)c2)no1
InChIInChI=1S/C17H23N5O3/c1-12-4-8-22(9-5-12)14-11-13(3-6-18-14)15-20-17(25-21-15)16(23)19-7-10-24-2/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,19,23)
InChIKeyBGPZYEKGJOCOTL-UHFFFAOYSA-N
XLogP1.74
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175171
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175260
N-[(3,5-difluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175267
N-[(2-methoxyphenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175244
3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 53175294
N-cycloheptyl-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175164
[3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53175259
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828031
N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175176
3-[2-(azepan-1-yl)-4-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175304
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175231
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827804

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide (CID 53175257) is N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide is COCCNC(=O)c1nc(-c2ccnc(N3CCC(C)CC3)c2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BGPZYEKGJOCOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-4-8-22(9-5-12)14-11-13(3-6-18-14)15-20-17(25-21-15)16(23)19-7-10-24-2/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,19,23).
What are the key properties of N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide?
N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53175257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).