2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C17H24F3N3O2 — CID 146401828

IUPAC2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCN1CC[C@@H](CNC(=O)C(C)(C)COc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O2/c1-16(2,15(24)22-9-12-6-8-23(3)10-12)11-25-14-13(17(18,19)20)5-4-7-21-14/h4-5,7,12H,6,8-11H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyKEJYWIJLICANKQ-LBPRGKRZSA-N
MW359.39 g/mol
LogP2.57
Rot. Bonds6

About 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401828) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401828
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCN1CC[C@@H](CNC(=O)C(C)(C)COc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O2/c1-16(2,15(24)22-9-12-6-8-23(3)10-12)11-25-14-13(17(18,19)20)5-4-7-21-14/h4-5,7,12H,6,8-11H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyKEJYWIJLICANKQ-LBPRGKRZSA-N
XLogP2.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401828) is 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CN1CC[C@@H](CNC(=O)C(C)(C)COc2ncccc2C(F)(F)F)C1.
What is the InChIKey of 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is KEJYWIJLICANKQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-16(2,15(24)22-9-12-6-8-23(3)10-12)11-25-14-13(17(18,19)20)5-4-7-21-14/h4-5,7,12H,6,8-11H2,1-3H3,(H,22,24)/t12-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).