3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide

C22H22FN3O — CID 54588913

IUPAC3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(N)=O)c2)cn1)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O/c1-22(2,18-7-9-19(23)10-8-18)14-26-20-11-6-17(13-25-20)15-4-3-5-16(12-15)21(24)27/h3-13H,14H2,1-2H3,(H2,24,27)(H,25,26)
InChIKeyQPDHLRFPKBFYMU-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.38
Rot. Bonds6

About 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide

3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide (PubChem CID 54588913) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide
PubChem CID54588913
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(N)=O)c2)cn1)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O/c1-22(2,18-7-9-19(23)10-8-18)14-26-20-11-6-17(13-25-20)15-4-3-5-16(12-15)21(24)27/h3-13H,14H2,1-2H3,(H2,24,27)(H,25,26)
InChIKeyQPDHLRFPKBFYMU-UHFFFAOYSA-N
XLogP4.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide (CID 54588913) is 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide is CC(C)(CNc1ccc(-c2cccc(C(N)=O)c2)cn1)c1ccc(F)cc1.
What is the InChIKey of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide?
The InChIKey is QPDHLRFPKBFYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-22(2,18-7-9-19(23)10-8-18)14-26-20-11-6-17(13-25-20)15-4-3-5-16(12-15)21(24)27/h3-13H,14H2,1-2H3,(H2,24,27)(H,25,26).
What are the key properties of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide?
3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 54588913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).