3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

C20H31N3O2 — CID 146402379

IUPAC3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(C2CC2)c(OCC(C)(C)C(=O)NC2CCN(C)CC2)n1
InChIInChI=1S/C20H31N3O2/c1-14-5-8-17(15-6-7-15)18(21-14)25-13-20(2,3)19(24)22-16-9-11-23(4)12-10-16/h5,8,15-16H,6-7,9-13H2,1-4H3,(H,22,24)
InChIKeyVEGZQYMZOOTXTD-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.88
Rot. Bonds6

About 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 146402379) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID146402379
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(C2CC2)c(OCC(C)(C)C(=O)NC2CCN(C)CC2)n1
InChIInChI=1S/C20H31N3O2/c1-14-5-8-17(15-6-7-15)18(21-14)25-13-20(2,3)19(24)22-16-9-11-23(4)12-10-16/h5,8,15-16H,6-7,9-13H2,1-4H3,(H,22,24)
InChIKeyVEGZQYMZOOTXTD-UHFFFAOYSA-N
XLogP2.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (CID 146402379) is 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is Cc1ccc(C2CC2)c(OCC(C)(C)C(=O)NC2CCN(C)CC2)n1.
What is the InChIKey of 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is VEGZQYMZOOTXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14-5-8-17(15-6-7-15)18(21-14)25-13-20(2,3)19(24)22-16-9-11-23(4)12-10-16/h5,8,15-16H,6-7,9-13H2,1-4H3,(H,22,24).
What are the key properties of 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-6-methyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 146402379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).