N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide

C10H13FN2O2 — CID 136545355

IUPACN-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(F)CCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H13FN2O2/c1-7(11)4-6-13-10(15)8-3-2-5-12-9(8)14/h2-3,5,7H,4,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyALQHODYUZDZEIQ-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.85
Rot. Bonds4

About N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide

N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 136545355) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID136545355
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(F)CCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H13FN2O2/c1-7(11)4-6-13-10(15)8-3-2-5-12-9(8)14/h2-3,5,7H,4,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyALQHODYUZDZEIQ-UHFFFAOYSA-N
XLogP0.85
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide (CID 136545355) is N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide is CC(F)CCNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ALQHODYUZDZEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-7(11)4-6-13-10(15)8-3-2-5-12-9(8)14/h2-3,5,7H,4,6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 212.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 136545355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).