4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide

C10H14FN3O2 — CID 169126820

IUPAC4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide
SMILESCC(F)C(C)n1cc(C(N)=O)c(N)cc1=O
InChIInChI=1S/C10H14FN3O2/c1-5(11)6(2)14-4-7(10(13)16)8(12)3-9(14)15/h3-6H,12H2,1-2H3,(H2,13,16)
InChIKeyCCEMPYUADRPTEL-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.45
Rot. Bonds3

About 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide

4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide (PubChem CID 169126820) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide
PubChem CID169126820
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide
SMILESCC(F)C(C)n1cc(C(N)=O)c(N)cc1=O
InChIInChI=1S/C10H14FN3O2/c1-5(11)6(2)14-4-7(10(13)16)8(12)3-9(14)15/h3-6H,12H2,1-2H3,(H2,13,16)
InChIKeyCCEMPYUADRPTEL-UHFFFAOYSA-N
XLogP0.45
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide (CID 169126820) is 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide is CC(F)C(C)n1cc(C(N)=O)c(N)cc1=O.
What is the InChIKey of 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide?
The InChIKey is CCEMPYUADRPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-5(11)6(2)14-4-7(10(13)16)8(12)3-9(14)15/h3-6H,12H2,1-2H3,(H2,13,16).
What are the key properties of 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide?
4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide has a molecular weight of 227.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).