N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide

C23H26ClN5O2 — CID 53135823

IUPACN-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C23H26ClN5O2/c1-2-3-12-26-22(30)17-10-14-29(15-11-17)21-19(5-4-13-25-21)23-27-20(28-31-23)16-6-8-18(24)9-7-16/h4-9,13,17H,2-3,10-12,14-15H2,1H3,(H,26,30)
InChIKeyUAZZVGGKIPKXPU-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.58
Rot. Bonds7

About N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide

N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 53135823) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID53135823
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC NameN-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C23H26ClN5O2/c1-2-3-12-26-22(30)17-10-14-29(15-11-17)21-19(5-4-13-25-21)23-27-20(28-31-23)16-6-8-18(24)9-7-16/h4-9,13,17H,2-3,10-12,14-15H2,1H3,(H,26,30)
InChIKeyUAZZVGGKIPKXPU-UHFFFAOYSA-N
XLogP4.58
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide
CID 53135821
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53365309
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 53032140
N-[(2S)-butan-2-yl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 95092882
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135844
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53135836
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53135885
N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135854
N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135843
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 53135902
N-[(2-methoxyphenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53365247
N-[(4-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166129

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 53135823) is N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is UAZZVGGKIPKXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-2-3-12-26-22(30)17-10-14-29(15-11-17)21-19(5-4-13-25-21)23-27-20(28-31-23)16-6-8-18(24)9-7-16/h4-9,13,17H,2-3,10-12,14-15H2,1H3,(H,26,30).
What are the key properties of N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 53135823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).