2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide

C23H23FN2O3 — CID 23190089

IUPAC2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)ccc2C(=O)NC(C)C)cc1OC
InChIInChI=1S/C23H23FN2O3/c1-14(2)25-23(27)18-10-11-19(15-5-8-17(24)9-6-15)26-22(18)16-7-12-20(28-3)21(13-16)29-4/h5-14H,1-4H3,(H,25,27)
InChIKeyDIOXVUBKXDBBLU-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.71
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide

2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 23190089) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID23190089
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)ccc2C(=O)NC(C)C)cc1OC
InChIInChI=1S/C23H23FN2O3/c1-14(2)25-23(27)18-10-11-19(15-5-8-17(24)9-6-15)26-22(18)16-7-12-20(28-3)21(13-16)29-4/h5-14H,1-4H3,(H,25,27)
InChIKeyDIOXVUBKXDBBLU-UHFFFAOYSA-N
XLogP4.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide (CID 23190089) is 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide is COc1ccc(-c2nc(-c3ccc(F)cc3)ccc2C(=O)NC(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is DIOXVUBKXDBBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-14(2)25-23(27)18-10-11-19(15-5-8-17(24)9-6-15)26-22(18)16-7-12-20(28-3)21(13-16)29-4/h5-14H,1-4H3,(H,25,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide?
2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 23190089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).