3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

C17H26ClN3O2 — CID 146402255

IUPAC3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1cnc(OCC(C)(C)C(=O)NC2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-12-9-14(18)15(19-10-12)23-11-17(2,3)16(22)20-13-5-7-21(4)8-6-13/h9-10,13H,5-8,11H2,1-4H3,(H,20,22)
InChIKeyHYSHEKLNKYKFMF-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.66
Rot. Bonds5

About 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 146402255) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID146402255
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1cnc(OCC(C)(C)C(=O)NC2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-12-9-14(18)15(19-10-12)23-11-17(2,3)16(22)20-13-5-7-21(4)8-6-13/h9-10,13H,5-8,11H2,1-4H3,(H,20,22)
InChIKeyHYSHEKLNKYKFMF-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (CID 146402255) is 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is Cc1cnc(OCC(C)(C)C(=O)NC2CCN(C)CC2)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is HYSHEKLNKYKFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-12-9-14(18)15(19-10-12)23-11-17(2,3)16(22)20-13-5-7-21(4)8-6-13/h9-10,13H,5-8,11H2,1-4H3,(H,20,22).
What are the key properties of 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 339.87 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 146402255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).