6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide

C15H15FN2O2 — CID 115497769

IUPAC6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C15H15FN2O2/c1-2-10-20-12-8-6-11(7-9-12)17-15(19)13-4-3-5-14(16)18-13/h3-9H,2,10H2,1H3,(H,17,19)
InChIKeyQFNHNMHGKLKNEE-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.26
Rot. Bonds5

About 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide

6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide (PubChem CID 115497769) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
PubChem CID115497769
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C15H15FN2O2/c1-2-10-20-12-8-6-11(7-9-12)17-15(19)13-4-3-5-14(16)18-13/h3-9H,2,10H2,1H3,(H,17,19)
InChIKeyQFNHNMHGKLKNEE-UHFFFAOYSA-N
XLogP3.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 115498032
N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 115496886
6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027
5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 62953584
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
N-(4-hexoxyphenyl)pyridine-2-carboxamide
CID 17353110
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
5-(methylamino)-N-(4-propoxyphenyl)pyrazine-2-carboxamide
CID 107375410
6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide (CID 115497769) is 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide is CCCOc1ccc(NC(=O)c2cccc(F)n2)cc1.
What is the InChIKey of 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide?
The InChIKey is QFNHNMHGKLKNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-10-20-12-8-6-11(7-9-12)17-15(19)13-4-3-5-14(16)18-13/h3-9H,2,10H2,1H3,(H,17,19).
What are the key properties of 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide?
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 115497769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).