3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide

C20H31N3O2 — CID 146401986

IUPAC3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide
SMILESC[C@@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2C2CC2)CCN1C
InChIInChI=1S/C20H31N3O2/c1-14-12-16(9-11-23(14)4)22-19(24)20(2,3)13-25-18-17(15-7-8-15)6-5-10-21-18/h5-6,10,14-16H,7-9,11-13H2,1-4H3,(H,22,24)/t14-,16-/m1/s1
InChIKeyHWWCMMWFOMNUDU-GDBMZVCRSA-N
MW345.49 g/mol
LogP2.96
Rot. Bonds6

About 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide

3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 146401986) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID146401986
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide
SMILESC[C@@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2C2CC2)CCN1C
InChIInChI=1S/C20H31N3O2/c1-14-12-16(9-11-23(14)4)22-19(24)20(2,3)13-25-18-17(15-7-8-15)6-5-10-21-18/h5-6,10,14-16H,7-9,11-13H2,1-4H3,(H,22,24)/t14-,16-/m1/s1
InChIKeyHWWCMMWFOMNUDU-GDBMZVCRSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide 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 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide (CID 146401986) is 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide is C[C@@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2C2CC2)CCN1C.
What is the InChIKey of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is HWWCMMWFOMNUDU-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14-12-16(9-11-23(14)4)22-19(24)20(2,3)13-25-18-17(15-7-8-15)6-5-10-21-18/h5-6,10,14-16H,7-9,11-13H2,1-4H3,(H,22,24)/t14-,16-/m1/s1.
What are the key properties of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide?
3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146401986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).