N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

C17H21BrN4O — CID 109186187

IUPACN-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C17H21BrN4O/c1-22(2)11-3-10-19-15-8-9-16(20-12-15)17(23)21-14-6-4-13(18)5-7-14/h4-9,12,19H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyKILAPWLTTDFRKJ-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.46
Rot. Bonds7

About N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (PubChem CID 109186187) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
PubChem CID109186187
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC NameN-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C17H21BrN4O/c1-22(2)11-3-10-19-15-8-9-16(20-12-15)17(23)21-14-6-4-13(18)5-7-14/h4-9,12,19H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyKILAPWLTTDFRKJ-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

4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109185542
5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109186215
N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186180
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185609
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
CID 109186207
5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109277983
5-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184198

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (CID 109186187) is N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is CN(C)CCCNc1ccc(C(=O)Nc2ccc(Br)cc2)nc1.
What is the InChIKey of N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The InChIKey is KILAPWLTTDFRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-22(2)11-3-10-19-15-8-9-16(20-12-15)17(23)21-14-6-4-13(18)5-7-14/h4-9,12,19H,3,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-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-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109186187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).