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

C14H17F6N3O — CID 4239722

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide
SMILESCc1cccc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H17F6N3O/c1-8(2)7-11(24)23-12(13(15,16)17,14(18,19)20)22-10-6-4-5-9(3)21-10/h4-6,8H,7H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyRUGJIDYNNPHZOB-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.79
Rot. Bonds5

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

N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide (PubChem CID 4239722) has the molecular formula C14H17F6N3O and a molecular weight of 357.30 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide
PubChem CID4239722
Molecular FormulaC14H17F6N3O
Molecular Weight357.30 g/mol
Exact Mass357.13
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide
SMILESCc1cccc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H17F6N3O/c1-8(2)7-11(24)23-12(13(15,16)17,14(18,19)20)22-10-6-4-5-9(3)21-10/h4-6,8H,7H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyRUGJIDYNNPHZOB-UHFFFAOYSA-N
XLogP3.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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]-3-methylbutanamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide (CID 4239722) is N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide is Cc1cccc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide?
The InChIKey is RUGJIDYNNPHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N3O/c1-8(2)7-11(24)23-12(13(15,16)17,14(18,19)20)22-10-6-4-5-9(3)21-10/h4-6,8H,7H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide?
N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]-3-methylbutanamide has a molecular weight of 357.30 g/mol, XLogP of 3.79, 5 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]-3-methylbutanamide is sourced from PubChem (CID 4239722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).