3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C11H13F4N3O — CID 105384157

IUPAC3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCC(F)(F)F)c1F
InChIInChI=1S/C11H13F4N3O/c1-2-4-16-9-8(12)7(3-5-17-9)10(19)18-6-11(13,14)15/h3,5H,2,4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyLRXABQCBZKGSNG-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.33
Rot. Bonds5

About 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 105384157) has the molecular formula C11H13F4N3O and a molecular weight of 279.24 g/mol. Its IUPAC name is 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID105384157
Molecular FormulaC11H13F4N3O
Molecular Weight279.24 g/mol
Exact Mass279.10
IUPAC Name3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCC(F)(F)F)c1F
InChIInChI=1S/C11H13F4N3O/c1-2-4-16-9-8(12)7(3-5-17-9)10(19)18-6-11(13,14)15/h3,5H,2,4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyLRXABQCBZKGSNG-UHFFFAOYSA-N
XLogP2.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105387416
3-fluoro-N-[2-(furan-2-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 105385394
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
3-fluoro-N-(1-methylcyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386620
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105386261
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105387666
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386738
3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
CID 105385116
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 105386389

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 105384157) is 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CCCNc1nccc(C(=O)NCC(F)(F)F)c1F.
What is the InChIKey of 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is LRXABQCBZKGSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O/c1-2-4-16-9-8(12)7(3-5-17-9)10(19)18-6-11(13,14)15/h3,5H,2,4,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 279.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105384157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).