1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide

C13H19FN2O2 — CID 134374958

IUPAC1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide
SMILESCCCC(F)CCCn1cccc(C(N)=O)c1=O
InChIInChI=1S/C13H19FN2O2/c1-2-5-10(14)6-3-8-16-9-4-7-11(12(15)17)13(16)18/h4,7,9-10H,2-3,5-6,8H2,1H3,(H2,15,17)
InChIKeyVRZXVOPHBQQZIV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.87
Rot. Bonds7

About 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide

1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide (PubChem CID 134374958) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide
PubChem CID134374958
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide
SMILESCCCC(F)CCCn1cccc(C(N)=O)c1=O
InChIInChI=1S/C13H19FN2O2/c1-2-5-10(14)6-3-8-16-9-4-7-11(12(15)17)13(16)18/h4,7,9-10H,2-3,5-6,8H2,1H3,(H2,15,17)
InChIKeyVRZXVOPHBQQZIV-UHFFFAOYSA-N
XLogP1.87
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide (CID 134374958) is 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide is CCCC(F)CCCn1cccc(C(N)=O)c1=O.
What is the InChIKey of 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide?
The InChIKey is VRZXVOPHBQQZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-5-10(14)6-3-8-16-9-4-7-11(12(15)17)13(16)18/h4,7,9-10H,2-3,5-6,8H2,1H3,(H2,15,17).
What are the key properties of 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide?
1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide has a molecular weight of 254.30 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroheptyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 134374958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).