3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile

C24H23N5O3 — CID 118435980

IUPAC3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-c2ncccn2)C1
InChIInChI=1S/C24H23N5O3/c1-16-8-9-18(32-23-21(31-2)17(14-25)10-13-28-23)15-29(16)24(30)20-7-4-3-6-19(20)22-26-11-5-12-27-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
InChIKeyVOSUQTIFHZJDIX-SJLPKXTDSA-N
MW429.48 g/mol
LogP3.49
Rot. Bonds5

About 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile

3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 118435980) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID118435980
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-c2ncccn2)C1
InChIInChI=1S/C24H23N5O3/c1-16-8-9-18(32-23-21(31-2)17(14-25)10-13-28-23)15-29(16)24(30)20-7-4-3-6-19(20)22-26-11-5-12-27-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
InChIKeyVOSUQTIFHZJDIX-SJLPKXTDSA-N
XLogP3.49
TPSA101.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222164
2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526207
2-[(3R,6S)-6-(hydroxymethyl)-1-(2-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile
CID 121388292
methyl 4-cyano-2-[1-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxypyridine-3-carboxylate
CID 90110929
3-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222492
2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
CID 90110369
4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 123507857
(5-fluoro-2-pyrimidin-2-ylphenyl)-[(2R,5R)-5-[[3-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone
CID 87054963
[(2R,5R)-5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidin-1-yl]-(2-propylphenyl)methanone
CID 121439352
[(2R,5R)-5-[[3-(hydroxymethyl)-4-methoxy-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055132
2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
CID 123353296
[(2R,5R)-5-(7-bromoisoquinolin-1-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212243

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile (CID 118435980) is 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile is COc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-c2ncccn2)C1.
What is the InChIKey of 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is VOSUQTIFHZJDIX-SJLPKXTDSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-16-8-9-18(32-23-21(31-2)17(14-25)10-13-28-23)15-29(16)24(30)20-7-4-3-6-19(20)22-26-11-5-12-27-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile?
3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 429.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 118435980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).