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

C20H27N5O2 — CID 53175294

IUPAC3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2ccnc(N3CCCCCC3)c2)no1
InChIInChI=1S/C20H27N5O2/c26-19(22-16-8-4-3-5-9-16)20-23-18(24-27-20)15-10-11-21-17(14-15)25-12-6-1-2-7-13-25/h10-11,14,16H,1-9,12-13H2,(H,22,26)
InChIKeyGHHRBNKBOSBICV-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.57
Rot. Bonds4

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

3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53175294) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID53175294
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2ccnc(N3CCCCCC3)c2)no1
InChIInChI=1S/C20H27N5O2/c26-19(22-16-8-4-3-5-9-16)20-23-18(24-27-20)15-10-11-21-17(14-15)25-12-6-1-2-7-13-25/h10-11,14,16H,1-9,12-13H2,(H,22,26)
InChIKeyGHHRBNKBOSBICV-UHFFFAOYSA-N
XLogP3.57
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175164
N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175171
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53175202
(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53175169
N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 95103431
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570665
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
N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175257
N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471248
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 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide (CID 53175294) is 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CCCCC1)c1nc(-c2ccnc(N3CCCCCC3)c2)no1.
What is the InChIKey of 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GHHRBNKBOSBICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-19(22-16-8-4-3-5-9-16)20-23-18(24-27-20)15-10-11-21-17(14-15)25-12-6-1-2-7-13-25/h10-11,14,16H,1-9,12-13H2,(H,22,26).
What are the key properties of 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53175294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).