5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide

C14H15BrN4O — CID 61095320

IUPAC5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H15BrN4O/c1-19(2)12-5-4-10(16)7-11(12)14(20)18-13-6-3-9(15)8-17-13/h3-8H,16H2,1-2H3,(H,17,18,20)
InChIKeyMQVLGSNBWLOZJF-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.74
Rot. Bonds3

About 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide

5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide (PubChem CID 61095320) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide
PubChem CID61095320
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H15BrN4O/c1-19(2)12-5-4-10(16)7-11(12)14(20)18-13-6-3-9(15)8-17-13/h3-8H,16H2,1-2H3,(H,17,18,20)
InChIKeyMQVLGSNBWLOZJF-UHFFFAOYSA-N
XLogP2.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide?
The IUPAC name of 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide (CID 61095320) is 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide?
The canonical SMILES for 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide is CN(C)c1ccc(N)cc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide?
The InChIKey is MQVLGSNBWLOZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(2)12-5-4-10(16)7-11(12)14(20)18-13-6-3-9(15)8-17-13/h3-8H,16H2,1-2H3,(H,17,18,20).
What are the key properties of 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide?
5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide has a molecular weight of 335.21 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide is sourced from PubChem (CID 61095320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).