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

C12H15F4N3O — CID 115691610

IUPACN,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H15F4N3O/c1-3-19(4-2)7(20)5-6-17-10-8(13)11(15)18-12(16)9(10)14/h3-6H2,1-2H3,(H,17,18)
InChIKeyUGEDBOKGIXAJNF-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.31
Rot. Bonds6

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

N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (PubChem CID 115691610) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
PubChem CID115691610
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC NameN,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H15F4N3O/c1-3-19(4-2)7(20)5-6-17-10-8(13)11(15)18-12(16)9(10)14/h3-6H2,1-2H3,(H,17,18)
InChIKeyUGEDBOKGIXAJNF-UHFFFAOYSA-N
XLogP2.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
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,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (CID 115691610) is N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is CCN(CC)C(=O)CCNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The InChIKey is UGEDBOKGIXAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c1-3-19(4-2)7(20)5-6-17-10-8(13)11(15)18-12(16)9(10)14/h3-6H2,1-2H3,(H,17,18).
What are the key properties of N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide has a molecular weight of 293.26 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 115691610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).