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

C26H26N4O3 — CID 74222755

IUPAC2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCOc1ccc(-c2ccccc2C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)cn1
InChIInChI=1S/C26H26N4O3/c1-17-8-10-21(33-25-18(2)19(14-27)12-13-28-25)16-30(17)26(31)23-7-5-4-6-22(23)20-9-11-24(32-3)29-15-20/h4-7,9,11-13,15,17,21H,8,10,16H2,1-3H3/t17-,21-/m1/s1
InChIKeyAUJNGEFGUPDJFF-DYESRHJHSA-N
MW442.52 g/mol
LogP4.40
Rot. Bonds5

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

2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (PubChem CID 74222755) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
PubChem CID74222755
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCOc1ccc(-c2ccccc2C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)cn1
InChIInChI=1S/C26H26N4O3/c1-17-8-10-21(33-25-18(2)19(14-27)12-13-28-25)16-30(17)26(31)23-7-5-4-6-22(23)20-9-11-24(32-3)29-15-20/h4-7,9,11-13,15,17,21H,8,10,16H2,1-3H3/t17-,21-/m1/s1
InChIKeyAUJNGEFGUPDJFF-DYESRHJHSA-N
XLogP4.40
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (CID 74222755) is 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is COc1ccc(-c2ccccc2C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)cn1.
What is the InChIKey of 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The InChIKey is AUJNGEFGUPDJFF-DYESRHJHSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-17-8-10-21(33-25-18(2)19(14-27)12-13-28-25)16-30(17)26(31)23-7-5-4-6-22(23)20-9-11-24(32-3)29-15-20/h4-7,9,11-13,15,17,21H,8,10,16H2,1-3H3/t17-,21-/m1/s1.
What are the key properties of 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile has a molecular weight of 442.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-1-[2-(6-methoxy-3-pyridinyl)benzoyl]-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is sourced from PubChem (CID 74222755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).