3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide

C14H14BrN3O — CID 107872797

IUPAC3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(C)c1cccnc1
InChIInChI=1S/C14H14BrN3O/c1-9-12(6-10(15)7-13(9)16)14(19)18(2)11-4-3-5-17-8-11/h3-8H,16H2,1-2H3
InChIKeyNDQGLZAMPRROFC-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.01
Rot. Bonds2

About 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide

3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide (PubChem CID 107872797) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide
PubChem CID107872797
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(C)c1cccnc1
InChIInChI=1S/C14H14BrN3O/c1-9-12(6-10(15)7-13(9)16)14(19)18(2)11-4-3-5-17-8-11/h3-8H,16H2,1-2H3
InChIKeyNDQGLZAMPRROFC-UHFFFAOYSA-N
XLogP3.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107872715
N,6-dimethyl-4-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 81242111
4-hydrazinyl-N,6-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 81249779
2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
CID 54547722
3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
CID 107872178
6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 103889921
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 62160905
5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide
CID 113236277
5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide
CID 65309932
3-amino-5-bromo-N,2-dimethyl-N-prop-2-ynylbenzamide
CID 107873004
3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
CID 107872270

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide (CID 107872797) is 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide is Cc1c(N)cc(Br)cc1C(=O)N(C)c1cccnc1.
What is the InChIKey of 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide?
The InChIKey is NDQGLZAMPRROFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-12(6-10(15)7-13(9)16)14(19)18(2)11-4-3-5-17-8-11/h3-8H,16H2,1-2H3.
What are the key properties of 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide?
3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 107872797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).