2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile

C23H24N6O3 — CID 123353296

IUPAC2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CC(Oc3nccc(C)c3C#N)CCC2C)c(-n2nccn2)c1
InChIInChI=1S/C23H24N6O3/c1-15-8-9-25-22(20(15)13-24)32-18-5-4-16(2)28(14-18)23(30)19-7-6-17(31-3)12-21(19)29-26-10-11-27-29/h6-12,16,18H,4-5,14H2,1-3H3
InChIKeyVWSJNBUODSSYKU-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.92
Rot. Bonds5

About 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile

2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile (PubChem CID 123353296) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
PubChem CID123353296
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CC(Oc3nccc(C)c3C#N)CCC2C)c(-n2nccn2)c1
InChIInChI=1S/C23H24N6O3/c1-15-8-9-25-22(20(15)13-24)32-18-5-4-16(2)28(14-18)23(30)19-7-6-17(31-3)12-21(19)29-26-10-11-27-29/h6-12,16,18H,4-5,14H2,1-3H3
InChIKeyVWSJNBUODSSYKU-UHFFFAOYSA-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

4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 123507857
2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile
CID 144616240
2-[(3R,6R)-1-[4-cyano-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526395
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
3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222164
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)-3-pyridinyl]methanone
CID 78324920
[(2R,5R)-5-[[3-(hydroxymethyl)-4-methoxy-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055132
4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 122653771
methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate
CID 118142523
2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
CID 144651693

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile (CID 123353296) is 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile is COc1ccc(C(=O)N2CC(Oc3nccc(C)c3C#N)CCC2C)c(-n2nccn2)c1.
What is the InChIKey of 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile?
The InChIKey is VWSJNBUODSSYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-15-8-9-25-22(20(15)13-24)32-18-5-4-16(2)28(14-18)23(30)19-7-6-17(31-3)12-21(19)29-26-10-11-27-29/h6-12,16,18H,4-5,14H2,1-3H3.
What are the key properties of 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile?
2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-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 2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 123353296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).