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

C23H24N6O3 — CID 74222164

IUPAC3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(C)c2-n2nccn2)C1
InChIInChI=1S/C23H24N6O3/c1-15-5-4-6-19(20(15)29-26-11-12-27-29)23(30)28-14-18(8-7-16(28)2)32-22-21(31-3)17(13-24)9-10-25-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
InChIKeyGEOIUXUDTWHWHP-SJLPKXTDSA-N
MW432.48 g/mol
LogP2.92
Rot. Bonds5

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

3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 74222164) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID74222164
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(C)c2-n2nccn2)C1
InChIInChI=1S/C23H24N6O3/c1-15-5-4-6-19(20(15)29-26-11-12-27-29)23(30)28-14-18(8-7-16(28)2)32-22-21(31-3)17(13-24)9-10-25-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
InChIKeyGEOIUXUDTWHWHP-SJLPKXTDSA-N
XLogP2.92
TPSA106.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 25127493
[(2R,5R)-5-isoquinolin-1-yloxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 45259003
[(2R,5R)-5-(4-methoxyisoquinolin-1-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212296
[(2S,3R)-2-methyl-3-(pyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 58488153
methyl 4-cyano-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 73673014
US9546152, example 1
CID 74222158
[(2R,5R)-2-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86291876
[(2R,5R)-5-[(4-iodo-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86291877
[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71527606
[(2R,5R)-5-[(4-ethyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118736952
[(2R,5R)-5-[(4-ethynyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118736953
[(2R,5R)-2-methyl-5-[(4-methylsulfanyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118736955

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile (CID 74222164) is 3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile is COc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(C)c2-n2nccn2)C1.
What is the InChIKey of 3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is GEOIUXUDTWHWHP-SJLPKXTDSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-15-5-4-6-19(20(15)29-26-11-12-27-29)23(30)28-14-18(8-7-16(28)2)32-22-21(31-3)17(13-24)9-10-25-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of 3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 74222164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).