N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide

C16H21N5O3 — CID 53175171

IUPACN-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(-c2ccnc(N3CCCCC3)c2)no1
InChIInChI=1S/C16H21N5O3/c1-23-10-7-18-15(22)16-19-14(20-24-16)12-5-6-17-13(11-12)21-8-3-2-4-9-21/h5-6,11H,2-4,7-10H2,1H3,(H,18,22)
InChIKeyVYKFTGXAQNGOFY-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.50
Rot. Bonds6

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

N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53175171) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID53175171
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(-c2ccnc(N3CCCCC3)c2)no1
InChIInChI=1S/C16H21N5O3/c1-23-10-7-18-15(22)16-19-14(20-24-16)12-5-6-17-13(11-12)21-8-3-2-4-9-21/h5-6,11H,2-4,7-10H2,1H3,(H,18,22)
InChIKeyVYKFTGXAQNGOFY-UHFFFAOYSA-N
XLogP1.50
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.50
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-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175257
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828031
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
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
3-[2-(azepan-1-yl)-4-pyridinyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175290
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53175202
N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 95103431
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175260
[3-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175315
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175194

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide (CID 53175171) is N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide is COCCNC(=O)c1nc(-c2ccnc(N3CCCCC3)c2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VYKFTGXAQNGOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-23-10-7-18-15(22)16-19-14(20-24-16)12-5-6-17-13(11-12)21-8-3-2-4-9-21/h5-6,11H,2-4,7-10H2,1H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.50, 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-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53175171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).