2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide

C12H18FN3O — CID 105385959

IUPAC2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H18FN3O/c1-3-4-5-8(2)16-12(17)9-6-7-15-11(14)10(9)13/h6-8H,3-5H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyOEDJLJCXIIGOAJ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.11
Rot. Bonds5

About 2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide

2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide (PubChem CID 105385959) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
PubChem CID105385959
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H18FN3O/c1-3-4-5-8(2)16-12(17)9-6-7-15-11(14)10(9)13/h6-8H,3-5H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyOEDJLJCXIIGOAJ-UHFFFAOYSA-N
XLogP2.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 105387484
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
2-amino-N-heptan-2-ylpyridine-3-carboxamide
CID 62073629
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 62201408
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
2-amino-3-fluoro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 105385002
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 105387280

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide (CID 105385959) is 2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide is CCCCC(C)NC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide?
The InChIKey is OEDJLJCXIIGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-4-5-8(2)16-12(17)9-6-7-15-11(14)10(9)13/h6-8H,3-5H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide?
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide has a molecular weight of 239.29 g/mol, XLogP of 2.11, 5 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-hexan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 105385959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).