N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide

C12H13F6N3O — CID 658503

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide
SMILESCCC(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F6N3O/c1-3-9(22)21-10(11(13,14)15,12(16,17)18)20-8-6-4-5-7(2)19-8/h4-6H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZRAYKKUAZWFQCN-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.15
Rot. Bonds4

About N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide

N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide (PubChem CID 658503) has the molecular formula C12H13F6N3O and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide
PubChem CID658503
Molecular FormulaC12H13F6N3O
Molecular Weight329.24 g/mol
Exact Mass329.10
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide
SMILESCCC(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F6N3O/c1-3-9(22)21-10(11(13,14)15,12(16,17)18)20-8-6-4-5-7(2)19-8/h4-6H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZRAYKKUAZWFQCN-UHFFFAOYSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
CID 44997660
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol
CID 62517992
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
2-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 1431338
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide (CID 658503) is N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide is CCC(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide?
The InChIKey is ZRAYKKUAZWFQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6N3O/c1-3-9(22)21-10(11(13,14)15,12(16,17)18)20-8-6-4-5-7(2)19-8/h4-6H,3H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide?
N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide has a molecular weight of 329.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]propanamide is sourced from PubChem (CID 658503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).