N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide

C21H21F3N4O4 — CID 158772736

IUPACN-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C21H21F3N4O4/c22-21(23,24)19(30)26-13-18(29)16-5-3-15(4-6-16)14-28(17-2-1-7-25-12-17)20(31)27-8-10-32-11-9-27/h1-7,12H,8-11,13-14H2,(H,26,30)
InChIKeyKNAXBMDHPKLFGR-UHFFFAOYSA-N
MW450.42 g/mol
LogP2.40
Rot. Bonds6

About N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide

N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 158772736) has the molecular formula C21H21F3N4O4 and a molecular weight of 450.42 g/mol. Its IUPAC name is N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
PubChem CID158772736
Molecular FormulaC21H21F3N4O4
Molecular Weight450.42 g/mol
Exact Mass450.15
IUPAC NameN-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C21H21F3N4O4/c22-21(23,24)19(30)26-13-18(29)16-5-3-15(4-6-16)14-28(17-2-1-7-25-12-17)20(31)27-8-10-32-11-9-27/h1-7,12H,8-11,13-14H2,(H,26,30)
InChIKeyKNAXBMDHPKLFGR-UHFFFAOYSA-N
XLogP2.40
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-aminoacetyl)phenyl]methyl]-N-pyridin-3-ylmorpholine-4-carboxamide;N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
CID 158772734
N-(3-methylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(3-methylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide
CID 160525923
N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 158161093
N-pyridin-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
CID 159594359
N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]pyrrolidine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 157312462
N-(3-chlorophenyl)-4-ethyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide
CID 158407444
4,4-difluoro-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;4,4-difluoro-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
CID 159254833
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(2-fluorophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide;N-(2-fluorophenyl)-1,1-dioxo-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 157195734
N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
CID 161417906
4-[[morpholine-4-carbonyl(pyridin-3-yl)amino]methyl]cyclohexa-1,3-diene-1-carboxylic acid
CID 163662226
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 110360930
N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide;N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide
CID 158551733

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide (CID 158772736) is N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide is O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2cccnc2)cc1.
What is the InChIKey of N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is KNAXBMDHPKLFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4/c22-21(23,24)19(30)26-13-18(29)16-5-3-15(4-6-16)14-28(17-2-1-7-25-12-17)20(31)27-8-10-32-11-9-27/h1-7,12H,8-11,13-14H2,(H,26,30).
What are the key properties of N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?
N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 450.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 158772736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).