4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide

C26H22FN3O — CID 46090613

IUPAC4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc(F)cc4)n3)c2)cc1
InChIInChI=1S/C26H22FN3O/c1-30(2)23-15-11-19(12-16-23)26(31)28-22-6-3-5-20(17-22)25-8-4-7-24(29-25)18-9-13-21(27)14-10-18/h3-17H,1-2H3,(H,28,31)
InChIKeyNTIQIHFZCXJMDZ-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.87
Rot. Bonds5

About 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide

4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide (PubChem CID 46090613) has the molecular formula C26H22FN3O and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
PubChem CID46090613
Molecular FormulaC26H22FN3O
Molecular Weight411.48 g/mol
Exact Mass411.17
IUPAC Name4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc(F)cc4)n3)c2)cc1
InChIInChI=1S/C26H22FN3O/c1-30(2)23-15-11-19(12-16-23)26(31)28-22-6-3-5-20(17-22)25-8-4-7-24(29-25)18-9-13-21(27)14-10-18/h3-17H,1-2H3,(H,28,31)
InChIKeyNTIQIHFZCXJMDZ-UHFFFAOYSA-N
XLogP5.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide (CID 46090613) is 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc(F)cc4)n3)c2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide?
The InChIKey is NTIQIHFZCXJMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O/c1-30(2)23-15-11-19(12-16-23)26(31)28-22-6-3-5-20(17-22)25-8-4-7-24(29-25)18-9-13-21(27)14-10-18/h3-17H,1-2H3,(H,28,31).
What are the key properties of 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide?
4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide has a molecular weight of 411.48 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 46090613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).