N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide

C13H17FN2O2 — CID 125491262

IUPACN,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2(F)CC2)[nH]c1=O
InChIInChI=1S/C13H17FN2O2/c1-3-16(4-2)12(18)9-5-6-10(15-11(9)17)13(14)7-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyWEGVTBHNUUYLBN-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.82
Rot. Bonds4

About N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide

N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125491262) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125491262
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2(F)CC2)[nH]c1=O
InChIInChI=1S/C13H17FN2O2/c1-3-16(4-2)12(18)9-5-6-10(15-11(9)17)13(14)7-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyWEGVTBHNUUYLBN-UHFFFAOYSA-N
XLogP1.82
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide (CID 125491262) is N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(C2(F)CC2)[nH]c1=O.
What is the InChIKey of N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WEGVTBHNUUYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-3-16(4-2)12(18)9-5-6-10(15-11(9)17)13(14)7-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,15,17).
What are the key properties of N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide?
N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(1-fluorocyclopropyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).