N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide

C21H23F3N4O3 — CID 2741373

IUPACN-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-1-2-15(14-16)20(29)25-17-4-5-18(27-6-10-30-11-7-27)26-19(17)28-8-12-31-13-9-28/h1-5,14H,6-13H2,(H,25,29)
InChIKeyMATULFSLMXEROA-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.03
Rot. Bonds4

About N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide

N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide (PubChem CID 2741373) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide
PubChem CID2741373
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC NameN-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-1-2-15(14-16)20(29)25-17-4-5-18(27-6-10-30-11-7-27)26-19(17)28-8-12-31-13-9-28/h1-5,14H,6-13H2,(H,25,29)
InChIKeyMATULFSLMXEROA-UHFFFAOYSA-N
XLogP3.03
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-(5-methyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296506
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2326651
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(trifluoromethyl)benzamide
CID 90491773
N-[4-methyl-3-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 118887175
ethane;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 144717584
N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162620968
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 41077695
N-[3-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 138714306
N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90456804
N-[4-methyl-3-(4-morpholin-4-yl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90456897
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55616983

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide (CID 2741373) is N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(N2CCOCC2)nc1N1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide?
The InChIKey is MATULFSLMXEROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-1-2-15(14-16)20(29)25-17-4-5-18(27-6-10-30-11-7-27)26-19(17)28-8-12-31-13-9-28/h1-5,14H,6-13H2,(H,25,29).
What are the key properties of N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide?
N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide has a molecular weight of 436.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2741373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).