N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide

C23H24F3N5O3S — CID 59529792

IUPACN-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(NC(=O)c3ccccc3C(F)(F)F)c3ccccn3)CC2)c1
InChIInChI=1S/C23H24F3N5O3S/c1-30-14-20(28-15-30)35(33,34)31-12-9-16(10-13-31)21(19-8-4-5-11-27-19)29-22(32)17-6-2-3-7-18(17)23(24,25)26/h2-8,11,14-16,21H,9-10,12-13H2,1H3,(H,29,32)
InChIKeyVDYPMQRGQRGRAK-UHFFFAOYSA-N
MW507.54 g/mol
LogP3.41
Rot. Bonds6

About N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide

N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide (PubChem CID 59529792) has the molecular formula C23H24F3N5O3S and a molecular weight of 507.54 g/mol. Its IUPAC name is N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide
PubChem CID59529792
Molecular FormulaC23H24F3N5O3S
Molecular Weight507.54 g/mol
Exact Mass507.16
IUPAC NameN-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(NC(=O)c3ccccc3C(F)(F)F)c3ccccn3)CC2)c1
InChIInChI=1S/C23H24F3N5O3S/c1-30-14-20(28-15-30)35(33,34)31-12-9-16(10-13-31)21(19-8-4-5-11-27-19)29-22(32)17-6-2-3-7-18(17)23(24,25)26/h2-8,11,14-16,21H,9-10,12-13H2,1H3,(H,29,32)
InChIKeyVDYPMQRGQRGRAK-UHFFFAOYSA-N
XLogP3.41
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide (CID 59529792) is N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide is Cn1cnc(S(=O)(=O)N2CCC(C(NC(=O)c3ccccc3C(F)(F)F)c3ccccn3)CC2)c1.
What is the InChIKey of N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is VDYPMQRGQRGRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3S/c1-30-14-20(28-15-30)35(33,34)31-12-9-16(10-13-31)21(19-8-4-5-11-27-19)29-22(32)17-6-2-3-7-18(17)23(24,25)26/h2-8,11,14-16,21H,9-10,12-13H2,1H3,(H,29,32).
What are the key properties of N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide?
N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 507.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 59529792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).