3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide

C14H14BrN3O — CID 114931712

IUPAC3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(N)c2Br)c1
InChIInChI=1S/C14H14BrN3O/c1-8-6-9(2)17-12(7-8)18-14(19)10-4-3-5-11(16)13(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyDXDHOXSIKXQJFZ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.30
Rot. Bonds2

About 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide

3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide (PubChem CID 114931712) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide
PubChem CID114931712
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(N)c2Br)c1
InChIInChI=1S/C14H14BrN3O/c1-8-6-9(2)17-12(7-8)18-14(19)10-4-3-5-11(16)13(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyDXDHOXSIKXQJFZ-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The IUPAC name of 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide (CID 114931712) is 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide is Cc1cc(C)nc(NC(=O)c2cccc(N)c2Br)c1.
What is the InChIKey of 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The InChIKey is DXDHOXSIKXQJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-6-9(2)17-12(7-8)18-14(19)10-4-3-5-11(16)13(10)15/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide?
3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide is sourced from PubChem (CID 114931712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).