1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide

C23H27N5O2 — CID 53135836

IUPAC1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC(C)C)CC3)n2)cc1
InChIInChI=1S/C23H27N5O2/c1-15(2)25-22(29)18-10-13-28(14-11-18)21-19(5-4-12-24-21)23-26-20(27-30-23)17-8-6-16(3)7-9-17/h4-9,12,15,18H,10-11,13-14H2,1-3H3,(H,25,29)
InChIKeyCRFMBJXYGCQYFW-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.85
Rot. Bonds5

About 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 53135836) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID53135836
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC(C)C)CC3)n2)cc1
InChIInChI=1S/C23H27N5O2/c1-15(2)25-22(29)18-10-13-28(14-11-18)21-19(5-4-12-24-21)23-26-20(27-30-23)17-8-6-16(3)7-9-17/h4-9,12,15,18H,10-11,13-14H2,1-3H3,(H,25,29)
InChIKeyCRFMBJXYGCQYFW-UHFFFAOYSA-N
XLogP3.85
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 95092882
N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135843
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53365332
N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 93071770
3-(4-methylphenyl)-5-(2-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 46265181
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 53365334
N-cyclopentyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135809
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-cyclohexyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135810
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 53135902
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide
CID 53135821
N-[(2-methoxyphenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53365247

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 53135836) is 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide is Cc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC(C)C)CC3)n2)cc1.
What is the InChIKey of 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is CRFMBJXYGCQYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)25-22(29)18-10-13-28(14-11-18)21-19(5-4-12-24-21)23-26-20(27-30-23)17-8-6-16(3)7-9-17/h4-9,12,15,18H,10-11,13-14H2,1-3H3,(H,25,29).
What are the key properties of 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53135836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).