2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide

C11H16FN3O — CID 105384278

IUPAC2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C11H16FN3O/c1-4-11(2,3)15-10(16)7-5-6-14-9(13)8(7)12/h5-6H,4H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyOOZNGIIHGFOMJU-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.72
Rot. Bonds3

About 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide

2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 105384278) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
PubChem CID105384278
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C11H16FN3O/c1-4-11(2,3)15-10(16)7-5-6-14-9(13)8(7)12/h5-6H,4H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyOOZNGIIHGFOMJU-UHFFFAOYSA-N
XLogP1.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide
CID 105387071
2-amino-N-(4-ethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384537
2-amino-N-(2,6-diethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384043
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2-amino-N-cyclooctyl-3-fluoropyridine-4-carboxamide
CID 105384104
2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105385347
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
CID 62661471
2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 105384040

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide (CID 105384278) is 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide is CCC(C)(C)NC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is OOZNGIIHGFOMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-4-11(2,3)15-10(16)7-5-6-14-9(13)8(7)12/h5-6H,4H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105384278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).