4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide

C17H25F2N3O2 — CID 175839929

IUPAC4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide
SMILESCN1CCCC1C(C(N)=O)C(C)(C)COc1ncccc1C(F)F
InChIInChI=1S/C17H25F2N3O2/c1-17(2,13(15(20)23)12-7-5-9-22(12)3)10-24-16-11(14(18)19)6-4-8-21-16/h4,6,8,12-14H,5,7,9-10H2,1-3H3,(H2,20,23)
InChIKeyYVVMNHIDVBNVTB-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.62
Rot. Bonds7

About 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide

4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide (PubChem CID 175839929) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide.

Molecular Properties

Compound Name4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide
PubChem CID175839929
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide
SMILESCN1CCCC1C(C(N)=O)C(C)(C)COc1ncccc1C(F)F
InChIInChI=1S/C17H25F2N3O2/c1-17(2,13(15(20)23)12-7-5-9-22(12)3)10-24-16-11(14(18)19)6-4-8-21-16/h4,6,8,12-14H,5,7,9-10H2,1-3H3,(H2,20,23)
InChIKeyYVVMNHIDVBNVTB-UHFFFAOYSA-N
XLogP2.62
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide
CID 166772582
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072035
2-[1-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridin-3-ol;hydrochloride
CID 67585183
(2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide
CID 156875505
2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83855726
[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119493478
2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
CID 164786458
2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
1-(2,2-dimethylpropanoyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55614007
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2352452
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 55355379
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide?
The IUPAC name of 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide (CID 175839929) is 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide.
What is the SMILES notation for 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide?
The canonical SMILES for 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide is CN1CCCC1C(C(N)=O)C(C)(C)COc1ncccc1C(F)F.
What is the InChIKey of 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide?
The InChIKey is YVVMNHIDVBNVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c1-17(2,13(15(20)23)12-7-5-9-22(12)3)10-24-16-11(14(18)19)6-4-8-21-16/h4,6,8,12-14H,5,7,9-10H2,1-3H3,(H2,20,23).
What are the key properties of 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide?
4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide has a molecular weight of 341.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-3,3-dimethyl-2-(1-methylpyrrolidin-2-yl)butanamide is sourced from PubChem (CID 175839929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).