N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide

C11H14BrN3O2 — CID 71973219

IUPACN-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ncccc2Br)C1
InChIInChI=1S/C11H14BrN3O2/c1-15-5-6-17-9(7-15)11(16)14-10-8(12)3-2-4-13-10/h2-4,9H,5-7H2,1H3,(H,13,14,16)
InChIKeyAYTUVMXZRGEOSL-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.11
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide

N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide (PubChem CID 71973219) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide
PubChem CID71973219
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ncccc2Br)C1
InChIInChI=1S/C11H14BrN3O2/c1-15-5-6-17-9(7-15)11(16)14-10-8(12)3-2-4-13-10/h2-4,9H,5-7H2,1H3,(H,13,14,16)
InChIKeyAYTUVMXZRGEOSL-UHFFFAOYSA-N
XLogP1.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide
CID 136516760
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
(2R)-4-methyl-N-[[2-[[(2S)-4-methylmorpholine-2-carbonyl]amino]-4-pyridinyl]methyl]morpholine-2-carboxamide
CID 97353215
(2S)-N-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-4-methylmorpholine-2-carboxamide
CID 97330305
4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide
CID 127412838
2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978891
4-methylmorpholine-2-carbohydrazide;dihydrochloride
CID 130652478
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956
N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide
CID 75382154
N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820933
N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
CID 75470295

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide (CID 71973219) is N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)Nc2ncccc2Br)C1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide?
The InChIKey is AYTUVMXZRGEOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-15-5-6-17-9(7-15)11(16)14-10-8(12)3-2-4-13-10/h2-4,9H,5-7H2,1H3,(H,13,14,16).
What are the key properties of N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide?
N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 71973219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).