N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide

C12H15F4N3O — CID 115682841

IUPACN-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCC(Nc1c(F)c(F)nc(F)c1F)C(=O)NC(C)(C)C
InChIInChI=1S/C12H15F4N3O/c1-5(11(20)19-12(2,3)4)17-8-6(13)9(15)18-10(16)7(8)14/h5H,1-4H3,(H,17,18)(H,19,20)
InChIKeyKZVRKKFLSOKGME-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.35
Rot. Bonds3

About N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide

N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (PubChem CID 115682841) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
PubChem CID115682841
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC NameN-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCC(Nc1c(F)c(F)nc(F)c1F)C(=O)NC(C)(C)C
InChIInChI=1S/C12H15F4N3O/c1-5(11(20)19-12(2,3)4)17-8-6(13)9(15)18-10(16)7(8)14/h5H,1-4H3,(H,17,18)(H,19,20)
InChIKeyKZVRKKFLSOKGME-UHFFFAOYSA-N
XLogP2.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (CID 115682841) is N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is CC(Nc1c(F)c(F)nc(F)c1F)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The InChIKey is KZVRKKFLSOKGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c1-5(11(20)19-12(2,3)4)17-8-6(13)9(15)18-10(16)7(8)14/h5H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide has a molecular weight of 293.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 115682841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).