N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide

C15H22BrN3O3 — CID 136516760

IUPACN-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NC(C)(C)COc2ncccc2Br)C1
InChIInChI=1S/C15H22BrN3O3/c1-15(2,10-22-14-11(16)5-4-6-17-14)18-13(20)12-9-19(3)7-8-21-12/h4-6,12H,7-10H2,1-3H3,(H,18,20)
InChIKeyUTMLNRJUTVGKQT-UHFFFAOYSA-N
MW372.26 g/mol
LogP1.45
Rot. Bonds5

About N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide

N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide (PubChem CID 136516760) has the molecular formula C15H22BrN3O3 and a molecular weight of 372.26 g/mol. Its IUPAC name is N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide
PubChem CID136516760
Molecular FormulaC15H22BrN3O3
Molecular Weight372.26 g/mol
Exact Mass371.08
IUPAC NameN-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NC(C)(C)COc2ncccc2Br)C1
InChIInChI=1S/C15H22BrN3O3/c1-15(2,10-22-14-11(16)5-4-6-17-14)18-13(20)12-9-19(3)7-8-21-12/h4-6,12H,7-10H2,1-3H3,(H,18,20)
InChIKeyUTMLNRJUTVGKQT-UHFFFAOYSA-N
XLogP1.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide
CID 71973219
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
1-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-(4-methylsulfanylphenyl)urea
CID 75398074
1-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-(3-fluoro-2-methylphenyl)urea
CID 75398098
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072035
(2R)-4-methyl-N-[[2-[[(2S)-4-methylmorpholine-2-carbonyl]amino]-4-pyridinyl]methyl]morpholine-2-carboxamide
CID 97353215
methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
CID 115538633
methyl 2-[(4-methylmorpholine-2-carbonyl)amino]acetate
CID 123485121
2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 51133314
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide
CID 111720032
N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
N-[(3R,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402203

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide (CID 136516760) is N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)NC(C)(C)COc2ncccc2Br)C1.
What is the InChIKey of N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide?
The InChIKey is UTMLNRJUTVGKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O3/c1-15(2,10-22-14-11(16)5-4-6-17-14)18-13(20)12-9-19(3)7-8-21-12/h4-6,12H,7-10H2,1-3H3,(H,18,20).
What are the key properties of N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide?
N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 136516760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).