4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C24H22F3N3O2 — CID 86296700

IUPAC4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyKRNDDDCYLBZERO-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.16
Rot. Bonds4

About 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 86296700) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID86296700
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyKRNDDDCYLBZERO-UHFFFAOYSA-N
XLogP5.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 86296700) is 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1.
What is the InChIKey of 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KRNDDDCYLBZERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31).
What are the key properties of 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 441.45 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 86296700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).