N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide

C13H12FN3O2 — CID 115498032

IUPACN-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(F)n2)cn1
InChIInChI=1S/C13H12FN3O2/c1-2-19-12-7-6-9(8-15-12)16-13(18)10-4-3-5-11(14)17-10/h3-8H,2H2,1H3,(H,16,18)
InChIKeyFLNZZKVGQJRRCJ-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.27
Rot. Bonds4

About N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide

N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide (PubChem CID 115498032) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide
PubChem CID115498032
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(F)n2)cn1
InChIInChI=1S/C13H12FN3O2/c1-2-19-12-7-6-9(8-15-12)16-13(18)10-4-3-5-11(14)17-10/h3-8H,2H2,1H3,(H,16,18)
InChIKeyFLNZZKVGQJRRCJ-UHFFFAOYSA-N
XLogP2.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 115497261
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769
3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 115930617
N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103747377
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280
6-fluoro-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 115497231
2-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697306
6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 113323529
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide (CID 115498032) is N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cccc(F)n2)cn1.
What is the InChIKey of N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is FLNZZKVGQJRRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-2-19-12-7-6-9(8-15-12)16-13(18)10-4-3-5-11(14)17-10/h3-8H,2H2,1H3,(H,16,18).
What are the key properties of N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide?
N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115498032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).