N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide

C10H13BrN4O2 — CID 79156017

IUPACN-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide
SMILESNc1cnc(NC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C10H13BrN4O2/c11-8-5-7(12)6-13-9(8)14-10(16)15-1-3-17-4-2-15/h5-6H,1-4,12H2,(H,13,14,16)
InChIKeyMXRXZILJLYRKQR-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.29
Rot. Bonds1

About N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide

N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide (PubChem CID 79156017) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide
PubChem CID79156017
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide
SMILESNc1cnc(NC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C10H13BrN4O2/c11-8-5-7(12)6-13-9(8)14-10(16)15-1-3-17-4-2-15/h5-6H,1-4,12H2,(H,13,14,16)
InChIKeyMXRXZILJLYRKQR-UHFFFAOYSA-N
XLogP1.29
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide
CID 661163
N-(4-amino-2,6-dibromophenyl)azepane-1-carboxamide
CID 79151818
N-(1-methyl-4-sulfamoylpyrazol-3-yl)morpholine-4-carboxamide
CID 79152077
N-(5-amino-3-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 103161641
N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3810125
N-(5-methyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 78993786
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535
N-(3-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 3411498
N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
CID 103755867
N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
CID 79156204
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3,5-dihydroxyphenyl)morpholine-4-carboxamide
CID 108895379

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide (CID 79156017) is N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide is Nc1cnc(NC(=O)N2CCOCC2)c(Br)c1.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide?
The InChIKey is MXRXZILJLYRKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-8-5-7(12)6-13-9(8)14-10(16)15-1-3-17-4-2-15/h5-6H,1-4,12H2,(H,13,14,16).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide?
N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide is sourced from PubChem (CID 79156017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).