N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide

C22H26F3N5O3 — CID 4067172

IUPACN-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(CCN1CCOCC1)C(=O)c1cnccn1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3N5O3/c23-22(24,25)18-3-1-2-17(14-18)15-28-20(31)4-7-30(9-8-29-10-12-33-13-11-29)21(32)19-16-26-5-6-27-19/h1-3,5-6,14,16H,4,7-13,15H2,(H,28,31)
InChIKeyREWJNRSKTMTGFW-UHFFFAOYSA-N
MW465.48 g/mol
LogP1.98
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide

N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide (PubChem CID 4067172) has the molecular formula C22H26F3N5O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
PubChem CID4067172
Molecular FormulaC22H26F3N5O3
Molecular Weight465.48 g/mol
Exact Mass465.20
IUPAC NameN-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(CCN1CCOCC1)C(=O)c1cnccn1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3N5O3/c23-22(24,25)18-3-1-2-17(14-18)15-28-20(31)4-7-30(9-8-29-10-12-33-13-11-29)21(32)19-16-26-5-6-27-19/h1-3,5-6,14,16H,4,7-13,15H2,(H,28,31)
InChIKeyREWJNRSKTMTGFW-UHFFFAOYSA-N
XLogP1.98
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 42783168
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 4253223
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide
CID 4170520
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 25289476
N-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 110752355
N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 4653849
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
2-anilino-N-benzyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-1,3-thiazole-4-carboxamide
CID 46136473
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819882
N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483704

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide (CID 4067172) is N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide is O=C(CCN(CCN1CCOCC1)C(=O)c1cnccn1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide?
The InChIKey is REWJNRSKTMTGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O3/c23-22(24,25)18-3-1-2-17(14-18)15-28-20(31)4-7-30(9-8-29-10-12-33-13-11-29)21(32)19-16-26-5-6-27-19/h1-3,5-6,14,16H,4,7-13,15H2,(H,28,31).
What are the key properties of N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide?
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4067172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).