2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride

C17H19ClF3N3O — CID 69235742

IUPAC2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride
SMILESCC(C)(NCc1cc(-c2ccccc2C(F)(F)F)ccn1)C(N)=O.Cl
InChIInChI=1S/C17H18F3N3O.ClH/c1-16(2,15(21)24)23-10-12-9-11(7-8-22-12)13-5-3-4-6-14(13)17(18,19)20;/h3-9,23H,10H2,1-2H3,(H2,21,24);1H
InChIKeyNLUHUZIRYVZRQT-UHFFFAOYSA-N
MW373.81 g/mol
LogP3.54
Rot. Bonds5

About 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride

2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride (PubChem CID 69235742) has the molecular formula C17H19ClF3N3O and a molecular weight of 373.81 g/mol. Its IUPAC name is 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride
PubChem CID69235742
Molecular FormulaC17H19ClF3N3O
Molecular Weight373.81 g/mol
Exact Mass373.12
IUPAC Name2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride
SMILESCC(C)(NCc1cc(-c2ccccc2C(F)(F)F)ccn1)C(N)=O.Cl
InChIInChI=1S/C17H18F3N3O.ClH/c1-16(2,15(21)24)23-10-12-9-11(7-8-22-12)13-5-3-4-6-14(13)17(18,19)20;/h3-9,23H,10H2,1-2H3,(H2,21,24);1H
InChIKeyNLUHUZIRYVZRQT-UHFFFAOYSA-N
XLogP3.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride?
The IUPAC name of 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride (CID 69235742) is 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride is CC(C)(NCc1cc(-c2ccccc2C(F)(F)F)ccn1)C(N)=O.Cl.
What is the InChIKey of 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride?
The InChIKey is NLUHUZIRYVZRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O.ClH/c1-16(2,15(21)24)23-10-12-9-11(7-8-22-12)13-5-3-4-6-14(13)17(18,19)20;/h3-9,23H,10H2,1-2H3,(H2,21,24);1H.
What are the key properties of 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride?
2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride has a molecular weight of 373.81 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;hydrochloride is sourced from PubChem (CID 69235742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).