3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide

C25H26F2N4O — CID 44528272

IUPAC3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide
SMILESCN(Cc1cccc(F)c1)C1CCN(c2cc(NC(=O)c3cccc(F)c3)ccn2)CC1
InChIInChI=1S/C25H26F2N4O/c1-30(17-18-4-2-6-20(26)14-18)23-9-12-31(13-10-23)24-16-22(8-11-28-24)29-25(32)19-5-3-7-21(27)15-19/h2-8,11,14-16,23H,9-10,12-13,17H2,1H3,(H,28,29,32)
InChIKeyCJKRXRGCBDILIZ-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.71
Rot. Bonds6

About 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide

3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide (PubChem CID 44528272) has the molecular formula C25H26F2N4O and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide
PubChem CID44528272
Molecular FormulaC25H26F2N4O
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide
SMILESCN(Cc1cccc(F)c1)C1CCN(c2cc(NC(=O)c3cccc(F)c3)ccn2)CC1
InChIInChI=1S/C25H26F2N4O/c1-30(17-18-4-2-6-20(26)14-18)23-9-12-31(13-10-23)24-16-22(8-11-28-24)29-25(32)19-5-3-7-21(27)15-19/h2-8,11,14-16,23H,9-10,12-13,17H2,1H3,(H,28,29,32)
InChIKeyCJKRXRGCBDILIZ-UHFFFAOYSA-N
XLogP4.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 45480709
N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide
CID 44528244
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
N-[2-[3-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 45481467
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-[2-hydroxyethyl(methyl)amino]piperidine-1-carboxamide
CID 75449902
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
N-[3-[[(2-cyclopropylpyrimidin-4-yl)amino]methyl]phenyl]-3-fluorobenzamide
CID 133297956
3-fluoro-N-[2-[3-[(3-hydroxyphenyl)methyl-methylamino]propyl-methylamino]-4-pyridinyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 44528152
2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109086315
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide (CID 44528272) is 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide is CN(Cc1cccc(F)c1)C1CCN(c2cc(NC(=O)c3cccc(F)c3)ccn2)CC1.
What is the InChIKey of 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide?
The InChIKey is CJKRXRGCBDILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O/c1-30(17-18-4-2-6-20(26)14-18)23-9-12-31(13-10-23)24-16-22(8-11-28-24)29-25(32)19-5-3-7-21(27)15-19/h2-8,11,14-16,23H,9-10,12-13,17H2,1H3,(H,28,29,32).
What are the key properties of 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide?
3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide has a molecular weight of 436.51 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 3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide is sourced from PubChem (CID 44528272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).