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

C24H22F3N3O2 — CID 86298094

IUPACN-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C24H22F3N3O2/c1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(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)
InChIKeyIQQLLSYZIGEGPW-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.16
Rot. Bonds4

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

N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 86298094) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID86298094
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C24H22F3N3O2/c1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(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)
InChIKeyIQQLLSYZIGEGPW-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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Related Compounds

Kx2-361
CID 11545920
HC067047
CID 2742550
3-fluoro-5-morpholin-4-yl-N-(1-(2-pyridin-4-ylethyl)-1H-indol-6-yl)benzamide
CID 5326869
Aminopyrimidine amide, 13e
CID 16118605
Aminopyrimidine amide, 13c
CID 16118609
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76903444
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide
CID 49797851
N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 78325057
N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296699
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442604
N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117610044
4-(Isoquinolin-1-Yl)-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 57383478

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (CID 86298094) is N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1.
What is the InChIKey of N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IQQLLSYZIGEGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(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 N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)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 N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86298094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).