4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide

C17H21BrN4O — CID 113025721

IUPAC4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
SMILESCN(C)CCCNc1ccc(NC(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C17H21BrN4O/c1-22(2)11-3-10-19-15-8-9-16(20-12-15)21-17(23)13-4-6-14(18)7-5-13/h4-9,12,19H,3,10-11H2,1-2H3,(H,20,21,23)
InChIKeyVYLYFYRKUAZYAB-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.46
Rot. Bonds7

About 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide

4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide (PubChem CID 113025721) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
PubChem CID113025721
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
SMILESCN(C)CCCNc1ccc(NC(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C17H21BrN4O/c1-22(2)11-3-10-19-15-8-9-16(20-12-15)21-17(23)13-4-6-14(18)7-5-13/h4-9,12,19H,3,10-11H2,1-2H3,(H,20,21,23)
InChIKeyVYLYFYRKUAZYAB-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-(butylamino)-2-pyridinyl]benzamide
CID 113023973
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113025505
4-[[5-[3-(dimethylamino)propylamino]-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187475
N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154345
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pyridine-3-carboxamide
CID 113025531
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154344
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]oxolane-2-carboxamide
CID 113025707

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide?
The IUPAC name of 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide (CID 113025721) is 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide is CN(C)CCCNc1ccc(NC(=O)c2ccc(Br)cc2)nc1.
What is the InChIKey of 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide?
The InChIKey is VYLYFYRKUAZYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-22(2)11-3-10-19-15-8-9-16(20-12-15)21-17(23)13-4-6-14(18)7-5-13/h4-9,12,19H,3,10-11H2,1-2H3,(H,20,21,23).
What are the key properties of 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide?
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide 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 4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113025721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).