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

C40H41F5N8O7 — CID 157406304

IUPACN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide
SMILESNCC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2)nc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2)nc1
InChIInChI=1S/C21H20F4N4O4.C19H21FN4O3/c22-15-2-5-17(6-3-15)29(20(32)28-7-9-33-10-8-28)13-16-4-1-14(11-26-16)18(30)12-27-19(31)21(23,24)25;20-15-2-5-17(6-3-15)24(19(26)23-7-9-27-10-8-23)13-16-4-1-14(12-22-16)18(25)11-21/h1-6,11H,7-10,12-13H2,(H,27,31);1-6,12H,7-11,13,21H2
InChIKeyBNTFXPYMRYQMOP-UHFFFAOYSA-N
MW840.81 g/mol
LogP4.36
Rot. Bonds11

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

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide (PubChem CID 157406304) has the molecular formula C40H41F5N8O7 and a molecular weight of 840.81 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-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-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide
PubChem CID157406304
Molecular FormulaC40H41F5N8O7
Molecular Weight840.81 g/mol
Exact Mass840.30
IUPAC NameN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide
SMILESNCC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2)nc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2)nc1
InChIInChI=1S/C21H20F4N4O4.C19H21FN4O3/c22-15-2-5-17(6-3-15)29(20(32)28-7-9-33-10-8-28)13-16-4-1-14(11-26-16)18(30)12-27-19(31)21(23,24)25;20-15-2-5-17(6-3-15)24(19(26)23-7-9-27-10-8-23)13-16-4-1-14(12-22-16)18(25)11-21/h1-6,11H,7-10,12-13H2,(H,27,31);1-6,12H,7-11,13,21H2
InChIKeyBNTFXPYMRYQMOP-UHFFFAOYSA-N
XLogP4.36
TPSA180.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500840.81
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-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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CID 56654780
N-(cis-3-fluoro-1-(pyridin-4-ylmethyl)piperidin-4-yl)-5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)picolinamide
CID 66710307
6-(4-(4-fluorobenzyl)piperazine-1-carbonyl)-N-(1-(4-fluorobenzyl)piperidin-4-yl)nicotinamide
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3-{[(6-Morpholin-4-yl-pyridine-3-carbonyl)-amino]-methyl}-4-oxo-1-phenyl-7-trifluoromethyl-1,4-dihydro-[1,8]naphthyridine-2-carboxylic acid methyl ester
CID 71208651
6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 117609610
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CID 66710412
N-[(3S,4S)-1-[(4-cyanophenyl)methyl]-3-fluoropiperidin-4-yl]-6-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 172441350
(6R)-6-(4-cyanophenyl)-N-[3-[4-[6-[5-[4-[3-[[(6R)-6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonyl]amino]propyl]piperazine-1-carbonyl]pyridin-2-yl]pyridine-3-carbonyl]piperazin-1-yl]propyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide
CID 16181991

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-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-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide (CID 157406304) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-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-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-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-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide is NCC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2)nc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2)nc1.
What is the InChIKey of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide?
The InChIKey is BNTFXPYMRYQMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O4.C19H21FN4O3/c22-15-2-5-17(6-3-15)29(20(32)28-7-9-33-10-8-28)13-16-4-1-14(11-26-16)18(30)12-27-19(31)21(23,24)25;20-15-2-5-17(6-3-15)24(19(26)23-7-9-27-10-8-23)13-16-4-1-14(12-22-16)18(25)11-21/h1-6,11H,7-10,12-13H2,(H,27,31);1-6,12H,7-11,13,21H2.
What are the key properties of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide?
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide has a molecular weight of 840.81 g/mol, XLogP of 4.36, 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-(4-fluorophenyl)morpholine-4-carboxamide;N-(4-fluorophenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 157406304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).