N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide

C17H20BrN3O — CID 109196108

IUPACN-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2cccc(Br)c2)nc1
InChIInChI=1S/C17H20BrN3O/c1-3-4-10-21(2)15-8-9-16(19-12-15)17(22)20-14-7-5-6-13(18)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,22)
InChIKeyNKNOUMLLYWHZEN-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.33
Rot. Bonds6

About N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide

N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide (PubChem CID 109196108) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide
PubChem CID109196108
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2cccc(Br)c2)nc1
InChIInChI=1S/C17H20BrN3O/c1-3-4-10-21(2)15-8-9-16(19-12-15)17(22)20-14-7-5-6-13(18)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,22)
InChIKeyNKNOUMLLYWHZEN-UHFFFAOYSA-N
XLogP4.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-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

5-[butyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109196048
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
CID 109099598
N-tert-butyl-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109195052
5-[butyl(methyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179517
5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109195719
5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109185972
5-[butyl(methyl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109196077
5-[butyl(methyl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109240367
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
5-[butyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109196079

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide (CID 109196108) is N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide is CCCCN(C)c1ccc(C(=O)Nc2cccc(Br)c2)nc1.
What is the InChIKey of N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide?
The InChIKey is NKNOUMLLYWHZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-3-4-10-21(2)15-8-9-16(19-12-15)17(22)20-14-7-5-6-13(18)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,22).
What are the key properties of N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide?
N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 109196108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).