N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide

C17H25BrN4O3 — CID 56549313

IUPACN-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC1CN(C(=O)C(C)N(C)CC(=O)Nc2ccc(Br)cn2)CC(C)O1
InChIInChI=1S/C17H25BrN4O3/c1-11-8-22(9-12(2)25-11)17(24)13(3)21(4)10-16(23)20-15-6-5-14(18)7-19-15/h5-7,11-13H,8-10H2,1-4H3,(H,19,20,23)
InChIKeyURVYJJNUWNXFPG-UHFFFAOYSA-N
MW413.32 g/mol
LogP1.74
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide

N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 56549313) has the molecular formula C17H25BrN4O3 and a molecular weight of 413.32 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID56549313
Molecular FormulaC17H25BrN4O3
Molecular Weight413.32 g/mol
Exact Mass412.11
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC1CN(C(=O)C(C)N(C)CC(=O)Nc2ccc(Br)cn2)CC(C)O1
InChIInChI=1S/C17H25BrN4O3/c1-11-8-22(9-12(2)25-11)17(24)13(3)21(4)10-16(23)20-15-6-5-14(18)7-19-15/h5-7,11-13H,8-10H2,1-4H3,(H,19,20,23)
InChIKeyURVYJJNUWNXFPG-UHFFFAOYSA-N
XLogP1.74
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 56549344
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 56549524
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 37206607
2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786388
(Z)-3-[(5-bromo-2-pyridinyl)amino]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
CID 108830932
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
methyl 3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62011505

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide (CID 56549313) is N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide is CC1CN(C(=O)C(C)N(C)CC(=O)Nc2ccc(Br)cn2)CC(C)O1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is URVYJJNUWNXFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN4O3/c1-11-8-22(9-12(2)25-11)17(24)13(3)21(4)10-16(23)20-15-6-5-14(18)7-19-15/h5-7,11-13H,8-10H2,1-4H3,(H,19,20,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 413.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 56549313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).