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

C11H13F4N3O — CID 103749974

IUPACN,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H13F4N3O/c1-5(11(19)16-2)4-18(3)8-6(12)9(14)17-10(15)7(8)13/h5H,4H2,1-3H3,(H,16,19)
InChIKeyAAPJZRRFNOWRDO-UHFFFAOYSA-N
MW279.24 g/mol
LogP1.46
Rot. Bonds4

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

N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (PubChem CID 103749974) has the molecular formula C11H13F4N3O and a molecular weight of 279.24 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
PubChem CID103749974
Molecular FormulaC11H13F4N3O
Molecular Weight279.24 g/mol
Exact Mass279.10
IUPAC NameN,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H13F4N3O/c1-5(11(19)16-2)4-18(3)8-6(12)9(14)17-10(15)7(8)13/h5H,4H2,1-3H3,(H,16,19)
InChIKeyAAPJZRRFNOWRDO-UHFFFAOYSA-N
XLogP1.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.46
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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Related Compounds

N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
CID 4561709
N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 11298724
N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 135031370
2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide
CID 42960282
(2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 164638601
1-[4-(2,3,5,6-Tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
CID 23402901
N-tert-butyl-2,3,5,6-tetrafluoro-1-methylpyridin-1-ium-4-amine
CID 58320110
2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine
CID 69243658
2,3,5,6-tetrafluoro-N-(3-methylbutan-2-yl)pyridin-4-amine
CID 79904271
N-butyl-2,3,5,6-tetrafluoropyridin-4-amine
CID 79904471
2,3,5,6-tetrafluoro-N-(2-methylpropyl)pyridin-4-amine
CID 80056609
2-[(2,3,5,6-Tetrafluoro-4-pyridinyl)amino]acetamide
CID 80056681

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide (CID 103749974) is N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is CNC(=O)C(C)CN(C)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
The InChIKey is AAPJZRRFNOWRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O/c1-5(11(19)16-2)4-18(3)8-6(12)9(14)17-10(15)7(8)13/h5H,4H2,1-3H3,(H,16,19).
What are the key properties of N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide?
N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide has a molecular weight of 279.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 103749974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).