1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide

C13H14FN3O2 — CID 155153118

IUPAC1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide
SMILESCCn1cc(C(=O)NC2=NC(F)CC=C2)ccc1=O
InChIInChI=1S/C13H14FN3O2/c1-2-17-8-9(6-7-12(17)18)13(19)16-11-5-3-4-10(14)15-11/h3,5-8,10H,2,4H2,1H3,(H,15,16,19)
InChIKeyNJGYEYACINBLEO-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.25
Rot. Bonds2

About 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide

1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide (PubChem CID 155153118) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide
PubChem CID155153118
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide
SMILESCCn1cc(C(=O)NC2=NC(F)CC=C2)ccc1=O
InChIInChI=1S/C13H14FN3O2/c1-2-17-8-9(6-7-12(17)18)13(19)16-11-5-3-4-10(14)15-11/h3,5-8,10H,2,4H2,1H3,(H,15,16,19)
InChIKeyNJGYEYACINBLEO-UHFFFAOYSA-N
XLogP1.25
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide (CID 155153118) is 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide is CCn1cc(C(=O)NC2=NC(F)CC=C2)ccc1=O.
What is the InChIKey of 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide?
The InChIKey is NJGYEYACINBLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-2-17-8-9(6-7-12(17)18)13(19)16-11-5-3-4-10(14)15-11/h3,5-8,10H,2,4H2,1H3,(H,15,16,19).
What are the key properties of 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide?
1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 155153118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).