N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide

C40H43F3N8O7 — CID 157209860

IUPACN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide
SMILESNCC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1
InChIInChI=1S/C21H21F3N4O4.C19H22N4O3/c22-21(23,24)19(30)26-13-18(29)15-6-7-16(25-12-15)14-28(17-4-2-1-3-5-17)20(31)27-8-10-32-11-9-27;20-12-18(24)15-6-7-16(21-13-15)14-23(17-4-2-1-3-5-17)19(25)22-8-10-26-11-9-22/h1-7,12H,8-11,13-14H2,(H,26,30);1-7,13H,8-12,14,20H2
InChIKeyARTPPAIPOFLFKO-UHFFFAOYSA-N
MW804.83 g/mol
LogP4.08
Rot. Bonds11

About N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide (PubChem CID 157209860) has the molecular formula C40H43F3N8O7 and a molecular weight of 804.83 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide
PubChem CID157209860
Molecular FormulaC40H43F3N8O7
Molecular Weight804.83 g/mol
Exact Mass804.32
IUPAC NameN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide
SMILESNCC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1
InChIInChI=1S/C21H21F3N4O4.C19H22N4O3/c22-21(23,24)19(30)26-13-18(29)15-6-7-16(25-12-15)14-28(17-4-2-1-3-5-17)20(31)27-8-10-32-11-9-27;20-12-18(24)15-6-7-16(21-13-15)14-23(17-4-2-1-3-5-17)19(25)22-8-10-26-11-9-22/h1-7,12H,8-11,13-14H2,(H,26,30);1-7,13H,8-12,14,20H2
InChIKeyARTPPAIPOFLFKO-UHFFFAOYSA-N
XLogP4.08
TPSA180.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500804.83
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide (CID 157209860) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide is NCC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1.
What is the InChIKey of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide?
The InChIKey is ARTPPAIPOFLFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4.C19H22N4O3/c22-21(23,24)19(30)26-13-18(29)15-6-7-16(25-12-15)14-28(17-4-2-1-3-5-17)20(31)27-8-10-32-11-9-27;20-12-18(24)15-6-7-16(21-13-15)14-23(17-4-2-1-3-5-17)19(25)22-8-10-26-11-9-22/h1-7,12H,8-11,13-14H2,(H,26,30);1-7,13H,8-12,14,20H2.
What are the key properties of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide?
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide has a molecular weight of 804.83 g/mol, XLogP of 4.08, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide;N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 157209860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).