N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

C17H21BrN4O — CID 109154344

IUPACN-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C17H21BrN4O/c1-22(2)11-5-10-19-16-9-8-13(12-20-16)17(23)21-15-7-4-3-6-14(15)18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyKJNWQAQFESVLTJ-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.46
Rot. Bonds7

About N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (PubChem CID 109154344) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
PubChem CID109154344
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC NameN-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C17H21BrN4O/c1-22(2)11-5-10-19-16-9-8-13(12-20-16)17(23)21-15-7-4-3-6-14(15)18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyKJNWQAQFESVLTJ-UHFFFAOYSA-N
XLogP3.46
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153234
N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154345
N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154328
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109151611
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251998
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277995

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (CID 109154344) is N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is CN(C)CCCNc1ccc(C(=O)Nc2ccccc2Br)cn1.
What is the InChIKey of N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The InChIKey is KJNWQAQFESVLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-22(2)11-5-10-19-16-9-8-13(12-20-16)17(23)21-15-7-4-3-6-14(15)18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109154344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).