5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide

C16H15BrClN3O2 — CID 1227119

IUPAC5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cncc(Br)c1
InChIInChI=1S/C16H15BrClN3O2/c17-12-7-11(9-19-10-12)16(22)20-13-1-2-15(14(18)8-13)21-3-5-23-6-4-21/h1-2,7-10H,3-6H2,(H,20,22)
InChIKeyVAFCUURZAQEAEL-UHFFFAOYSA-N
MW396.67 g/mol
LogP3.59
Rot. Bonds3

About 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide

5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide (PubChem CID 1227119) has the molecular formula C16H15BrClN3O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
PubChem CID1227119
Molecular FormulaC16H15BrClN3O2
Molecular Weight396.67 g/mol
Exact Mass395.00
IUPAC Name5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cncc(Br)c1
InChIInChI=1S/C16H15BrClN3O2/c17-12-7-11(9-19-10-12)16(22)20-13-1-2-15(14(18)8-13)21-3-5-23-6-4-21/h1-2,7-10H,3-6H2,(H,20,22)
InChIKeyVAFCUURZAQEAEL-UHFFFAOYSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide
CID 17127152
N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide
CID 91675315
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095959
5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60865148
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46249483
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
5-bromo-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 731484
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide (CID 1227119) is 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The InChIKey is VAFCUURZAQEAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O2/c17-12-7-11(9-19-10-12)16(22)20-13-1-2-15(14(18)8-13)21-3-5-23-6-4-21/h1-2,7-10H,3-6H2,(H,20,22).
What are the key properties of 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide?
5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide has a molecular weight of 396.67 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1227119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).