2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide

C19H15FN2O2 — CID 60565493

IUPAC2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C19H15FN2O2/c1-13-6-8-15(9-7-13)24-17-5-3-2-4-16(17)22-19(23)14-10-11-21-18(20)12-14/h2-12H,1H3,(H,22,23)
InChIKeyVTBMUBFSDYIRES-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.57
Rot. Bonds4

About 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide

2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide (PubChem CID 60565493) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
PubChem CID60565493
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C19H15FN2O2/c1-13-6-8-15(9-7-13)24-17-5-3-2-4-16(17)22-19(23)14-10-11-21-18(20)12-14/h2-12H,1H3,(H,22,23)
InChIKeyVTBMUBFSDYIRES-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.57
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

2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide
CID 60564666
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
N-(2-ethylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294713
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 56553741
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013
N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 27669702
3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 17435298
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61294571

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide (CID 60565493) is 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)c2ccnc(F)c2)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is VTBMUBFSDYIRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-13-6-8-15(9-7-13)24-17-5-3-2-4-16(17)22-19(23)14-10-11-21-18(20)12-14/h2-12H,1H3,(H,22,23).
What are the key properties of 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide?
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 60565493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).