2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide

C22H20FN3O3 — CID 135146904

IUPAC2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide
SMILESCOc1cccc(-c2cccc(Nc3ncccc3C(=O)NCC=O)c2C)c1F
InChIInChI=1S/C22H20FN3O3/c1-14-15(16-7-4-10-19(29-2)20(16)23)6-3-9-18(14)26-21-17(8-5-11-24-21)22(28)25-12-13-27/h3-11,13H,12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyKFSDWYHVOAUEHR-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.88
Rot. Bonds7

About 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide

2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide (PubChem CID 135146904) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide
PubChem CID135146904
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide
SMILESCOc1cccc(-c2cccc(Nc3ncccc3C(=O)NCC=O)c2C)c1F
InChIInChI=1S/C22H20FN3O3/c1-14-15(16-7-4-10-19(29-2)20(16)23)6-3-9-18(14)26-21-17(8-5-11-24-21)22(28)25-12-13-27/h3-11,13H,12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyKFSDWYHVOAUEHR-UHFFFAOYSA-N
XLogP3.88
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide (CID 135146904) is 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide is COc1cccc(-c2cccc(Nc3ncccc3C(=O)NCC=O)c2C)c1F.
What is the InChIKey of 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide?
The InChIKey is KFSDWYHVOAUEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-14-15(16-7-4-10-19(29-2)20(16)23)6-3-9-18(14)26-21-17(8-5-11-24-21)22(28)25-12-13-27/h3-11,13H,12H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide?
2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135146904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).