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

C22H29N5O2 — CID 53175260

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2cc(-c3noc(C(=O)NCCC4=CCCCC4)n3)ccn2)CC1
InChIInChI=1S/C22H29N5O2/c1-16-9-13-27(14-10-16)19-15-18(8-12-23-19)20-25-22(29-26-20)21(28)24-11-7-17-5-3-2-4-6-17/h5,8,12,15-16H,2-4,6-7,9-11,13-14H2,1H3,(H,24,28)
InChIKeyXAVKFQCHEFZSJN-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.99
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53175260) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53175260
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2cc(-c3noc(C(=O)NCCC4=CCCCC4)n3)ccn2)CC1
InChIInChI=1S/C22H29N5O2/c1-16-9-13-27(14-10-16)19-15-18(8-12-23-19)20-25-22(29-26-20)21(28)24-11-7-17-5-3-2-4-6-17/h5,8,12,15-16H,2-4,6-7,9-11,13-14H2,1H3,(H,24,28)
InChIKeyXAVKFQCHEFZSJN-UHFFFAOYSA-N
XLogP3.99
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[(3,5-difluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175267
N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175171
N-[(2-methoxyphenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175244
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 50771431
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135844
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-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519676
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044848
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827804
3-[2-(azepan-1-yl)-4-pyridinyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175290

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide (CID 53175260) is N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCN(c2cc(-c3noc(C(=O)NCCC4=CCCCC4)n3)ccn2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XAVKFQCHEFZSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-9-13-27(14-10-16)19-15-18(8-12-23-19)20-25-22(29-26-20)21(28)24-11-7-17-5-3-2-4-6-17/h5,8,12,15-16H,2-4,6-7,9-11,13-14H2,1H3,(H,24,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53175260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).