N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide

C13H15F6N3O — CID 913318

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide
SMILESCc1ccnc(NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C13H15F6N3O/c1-7(2)10(23)22-11(12(14,15)16,13(17,18)19)21-9-6-8(3)4-5-20-9/h4-7H,1-3H3,(H,20,21)(H,22,23)
InChIKeySQRYMAHUJZNQJK-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.40
Rot. Bonds4

About N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide

N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide (PubChem CID 913318) has the molecular formula C13H15F6N3O and a molecular weight of 343.27 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide
PubChem CID913318
Molecular FormulaC13H15F6N3O
Molecular Weight343.27 g/mol
Exact Mass343.11
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide
SMILESCc1ccnc(NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C13H15F6N3O/c1-7(2)10(23)22-11(12(14,15)16,13(17,18)19)21-9-6-8(3)4-5-20-9/h4-7H,1-3H3,(H,20,21)(H,22,23)
InChIKeySQRYMAHUJZNQJK-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.40
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-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide (CID 913318) is N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide is Cc1ccnc(NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide?
The InChIKey is SQRYMAHUJZNQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N3O/c1-7(2)10(23)22-11(12(14,15)16,13(17,18)19)21-9-6-8(3)4-5-20-9/h4-7H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide?
N-[1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 3.40, 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-[(4-methyl-2-pyridinyl)amino]propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 913318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).