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

C11H13F4N3O — CID 79904409

IUPACN-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCCCNC(=O)CCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H13F4N3O/c1-2-4-16-6(19)3-5-17-9-7(12)10(14)18-11(15)8(9)13/h2-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyKKSPKJAJALSOLV-UHFFFAOYSA-N
MW279.24 g/mol
LogP1.97
Rot. Bonds6

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

N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (PubChem CID 79904409) has the molecular formula C11H13F4N3O and a molecular weight of 279.24 g/mol. Its IUPAC name is N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
PubChem CID79904409
Molecular FormulaC11H13F4N3O
Molecular Weight279.24 g/mol
Exact Mass279.10
IUPAC NameN-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCCCNC(=O)CCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H13F4N3O/c1-2-4-16-6(19)3-5-17-9-7(12)10(14)18-11(15)8(9)13/h2-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyKKSPKJAJALSOLV-UHFFFAOYSA-N
XLogP1.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.97
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-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The IUPAC name of N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (CID 79904409) is N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.
What is the SMILES notation for N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The canonical SMILES for N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is CCCNC(=O)CCNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The InChIKey is KKSPKJAJALSOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O/c1-2-4-16-6(19)3-5-17-9-7(12)10(14)18-11(15)8(9)13/h2-5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide has a molecular weight of 279.24 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 79904409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).