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

C12H15F4N3O — CID 133371825

IUPACN-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H15F4N3O/c1-4-5(2)17-12(20)6(3)18-9-7(13)10(15)19-11(16)8(9)14/h5-6H,4H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyVGBWBVDXNGWYDP-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.35
Rot. Bonds5

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

N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (PubChem CID 133371825) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
PubChem CID133371825
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC NameN-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H15F4N3O/c1-4-5(2)17-12(20)6(3)18-9-7(13)10(15)19-11(16)8(9)14/h5-6H,4H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyVGBWBVDXNGWYDP-UHFFFAOYSA-N
XLogP2.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (CID 133371825) is N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is CCC(C)NC(=O)C(C)Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The InChIKey is VGBWBVDXNGWYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c1-4-5(2)17-12(20)6(3)18-9-7(13)10(15)19-11(16)8(9)14/h5-6H,4H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide has a molecular weight of 293.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 133371825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).