3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide

C21H20FN3O — CID 113017898

IUPAC3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3cccc(F)c3)cn2)c(C)c1
InChIInChI=1S/C21H20FN3O/c1-13-9-14(2)20(15(3)10-13)25-19-8-7-18(12-23-19)24-21(26)16-5-4-6-17(22)11-16/h4-12H,1-3H3,(H,23,25)(H,24,26)
InChIKeySCNLABRGPWSQJU-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.14
Rot. Bonds4

About 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide

3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide (PubChem CID 113017898) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
PubChem CID113017898
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3cccc(F)c3)cn2)c(C)c1
InChIInChI=1S/C21H20FN3O/c1-13-9-14(2)20(15(3)10-13)25-19-8-7-18(12-23-19)24-21(26)16-5-4-6-17(22)11-16/h4-12H,1-3H3,(H,23,25)(H,24,26)
InChIKeySCNLABRGPWSQJU-UHFFFAOYSA-N
XLogP5.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019057
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-(3-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109163087
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042
2-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]propanamide
CID 113017883
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide (CID 113017898) is 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide is Cc1cc(C)c(Nc2ccc(NC(=O)c3cccc(F)c3)cn2)c(C)c1.
What is the InChIKey of 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide?
The InChIKey is SCNLABRGPWSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-13-9-14(2)20(15(3)10-13)25-19-8-7-18(12-23-19)24-21(26)16-5-4-6-17(22)11-16/h4-12H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide?
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113017898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).