N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide

C16H17BrN4O2 — CID 91675315

IUPACN-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide
SMILESNc1ccc(N2CCOCC2)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C16H17BrN4O2/c17-12-7-11(9-19-10-12)16(22)20-14-8-13(18)1-2-15(14)21-3-5-23-6-4-21/h1-2,7-10H,3-6,18H2,(H,20,22)
InChIKeySOSZWIRUBWDDOK-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.52
Rot. Bonds3

About N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide

N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide (PubChem CID 91675315) has the molecular formula C16H17BrN4O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide
PubChem CID91675315
Molecular FormulaC16H17BrN4O2
Molecular Weight377.24 g/mol
Exact Mass376.05
IUPAC NameN-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide
SMILESNc1ccc(N2CCOCC2)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C16H17BrN4O2/c17-12-7-11(9-19-10-12)16(22)20-14-8-13(18)1-2-15(14)21-3-5-23-6-4-21/h1-2,7-10H,3-6,18H2,(H,20,22)
InChIKeySOSZWIRUBWDDOK-UHFFFAOYSA-N
XLogP2.52
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 1227119
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide
CID 17127152
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 28692731
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 91675846
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 91675849
5-(cyclopropylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 109223906
N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55582875
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide (CID 91675315) is N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide is Nc1ccc(N2CCOCC2)c(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide?
The InChIKey is SOSZWIRUBWDDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O2/c17-12-7-11(9-19-10-12)16(22)20-14-8-13(18)1-2-15(14)21-3-5-23-6-4-21/h1-2,7-10H,3-6,18H2,(H,20,22).
What are the key properties of N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide?
N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 91675315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).