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

C22H22N6O2 — CID 123507857

IUPAC4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
SMILESCc1ccnc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c1C#N
InChIInChI=1S/C22H22N6O2/c1-15-9-10-24-21(19(15)13-23)30-17-8-7-16(2)27(14-17)22(29)18-5-3-4-6-20(18)28-25-11-12-26-28/h3-6,9-12,16-17H,7-8,14H2,1-2H3
InChIKeyAUZOCXXGCDWNIR-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.91
Rot. Bonds4

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

4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 123507857) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID123507857
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
SMILESCc1ccnc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c1C#N
InChIInChI=1S/C22H22N6O2/c1-15-9-10-24-21(19(15)13-23)30-17-8-7-16(2)27(14-17)22(29)18-5-3-4-6-20(18)28-25-11-12-26-28/h3-6,9-12,16-17H,7-8,14H2,1-2H3
InChIKeyAUZOCXXGCDWNIR-UHFFFAOYSA-N
XLogP2.91
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
CID 123353296
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683
methyl 4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90241857
ethane;methyl 4-methyl-2-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144739570
4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 122653771
[(2R)-5-[[3-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144739519
ethyl 4-ethoxy-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 122630451
[(2R,5R)-5-[[3-(hydroxymethyl)-4-methoxy-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055132
[(2R,5R)-5-(7-bromoisoquinolin-1-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212243
[(2R,5R)-5-[[3-[(1S)-1-hydroxypropyl]-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055212
[(2R,5R)-5-[[3-[(1R)-1-hydroxypropyl]-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055211
3-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222492

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile (CID 123507857) is 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile is Cc1ccnc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c1C#N.
What is the InChIKey of 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is AUZOCXXGCDWNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-15-9-10-24-21(19(15)13-23)30-17-8-7-16(2)27(14-17)22(29)18-5-3-4-6-20(18)28-25-11-12-26-28/h3-6,9-12,16-17H,7-8,14H2,1-2H3.
What are the key properties of 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile?
4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 402.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 123507857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).