[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C18H18N6O2 — CID 99964038

IUPAC[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1
InChIInChI=1S/C18H18N6O2/c1-12-15(9-20-11-21-12)17-23-22-16(26-17)14-5-3-7-24(10-14)18(25)13-4-2-6-19-8-13/h2,4,6,8-9,11,14H,3,5,7,10H2,1H3/t14-/m1/s1
InChIKeyYEWOUCYMRYMHAN-CQSZACIVSA-N
MW350.38 g/mol
LogP2.25
Rot. Bonds3

About [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 99964038) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID99964038
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1
InChIInChI=1S/C18H18N6O2/c1-12-15(9-20-11-21-12)17-23-22-16(26-17)14-5-3-7-24(10-14)18(25)13-4-2-6-19-8-13/h2,4,6,8-9,11,14H,3,5,7,10H2,1H3/t14-/m1/s1
InChIKeyYEWOUCYMRYMHAN-CQSZACIVSA-N
XLogP2.25
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-yl-[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99964034
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99963542
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99963998
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 118471028
pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110268573
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124942086
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 99964038) is [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1.
What is the InChIKey of [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is YEWOUCYMRYMHAN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12-15(9-20-11-21-12)17-23-22-16(26-17)14-5-3-7-24(10-14)18(25)13-4-2-6-19-8-13/h2,4,6,8-9,11,14H,3,5,7,10H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 350.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 99964038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).