6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C21H27N3O2 — CID 109152560

IUPAC6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccccc3OC(C)C)cn2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-19-7-5-4-6-18(19)23-21(25)17-8-9-20(22-14-17)24-12-10-16(3)11-13-24/h4-9,14-16H,10-13H2,1-3H3,(H,23,25)
InChIKeyOXRUAZRRCHFJPY-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.36
Rot. Bonds5

About 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109152560) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109152560
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccccc3OC(C)C)cn2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-19-7-5-4-6-18(19)23-21(25)17-8-9-20(22-14-17)24-12-10-16(3)11-13-24/h4-9,14-16H,10-13H2,1-3H3,(H,23,25)
InChIKeyOXRUAZRRCHFJPY-UHFFFAOYSA-N
XLogP4.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109152560) is 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC1CCN(c2ccc(C(=O)Nc3ccccc3OC(C)C)cn2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is OXRUAZRRCHFJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)26-19-7-5-4-6-18(19)23-21(25)17-8-9-20(22-14-17)24-12-10-16(3)11-13-24/h4-9,14-16H,10-13H2,1-3H3,(H,23,25).
What are the key properties of 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109152560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).