N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide

C10H12F3N3O — CID 114270139

IUPACN-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
SMILESCNC(=O)C(C)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O/c1-6(9(17)14-2)16-7-3-4-15-8(5-7)10(11,12)13/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyMMLLXPAAUAZYHP-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.65
Rot. Bonds3

About N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide

N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide (PubChem CID 114270139) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
PubChem CID114270139
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
SMILESCNC(=O)C(C)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O/c1-6(9(17)14-2)16-7-3-4-15-8(5-7)10(11,12)13/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyMMLLXPAAUAZYHP-UHFFFAOYSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide?
The IUPAC name of N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide (CID 114270139) is N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide is CNC(=O)C(C)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide?
The InChIKey is MMLLXPAAUAZYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6(9(17)14-2)16-7-3-4-15-8(5-7)10(11,12)13/h3-6H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide?
N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide has a molecular weight of 247.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide is sourced from PubChem (CID 114270139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).