2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

C12H15F4N3O — CID 106295561

IUPAC2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(F)(F)C(F)F)cc(N)n1
InChIInChI=1S/C12H15F4N3O/c1-6(2)8-3-7(4-9(17)19-8)10(20)18-5-12(15,16)11(13)14/h3-4,6,11H,5H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyPBEWXMSAJSMHFJ-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (PubChem CID 106295561) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
PubChem CID106295561
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC Name2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(F)(F)C(F)F)cc(N)n1
InChIInChI=1S/C12H15F4N3O/c1-6(2)8-3-7(4-9(17)19-8)10(20)18-5-12(15,16)11(13)14/h3-4,6,11H,5H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyPBEWXMSAJSMHFJ-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295635
2-amino-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 114169847
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106280078
2-amino-6-propyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295513
2-amino-N-(2-methoxy-2-methylpropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 104765675
2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 106433006
2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 102700593
2-amino-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765569
3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289195
2-hydrazinyl-6-propyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295650
2-amino-6-propan-2-yl-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298213
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (CID 106295561) is 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is CC(C)c1cc(C(=O)NCC(F)(F)C(F)F)cc(N)n1.
What is the InChIKey of 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The InChIKey is PBEWXMSAJSMHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c1-6(2)8-3-7(4-9(17)19-8)10(20)18-5-12(15,16)11(13)14/h3-4,6,11H,5H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide has a molecular weight of 293.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 106295561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).