2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide

C14H14BrN3O — CID 62160905

IUPAC2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(N(C)C(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C14H14BrN3O/c1-9-4-3-5-11(6-9)18(2)14(19)12-7-10(15)8-17-13(12)16/h3-8H,1-2H3,(H2,16,17)
InChIKeyZGAORGCNHDLIFH-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.01
Rot. Bonds2

About 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide

2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 62160905) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID62160905
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(N(C)C(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C14H14BrN3O/c1-9-4-3-5-11(6-9)18(2)14(19)12-7-10(15)8-17-13(12)16/h3-8H,1-2H3,(H2,16,17)
InChIKeyZGAORGCNHDLIFH-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

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Related Compounds

2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzamide
CID 62003309
2-amino-5-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62161411
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
4-hydrazinyl-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81256562
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
2-amino-N-(3,5-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 62161798
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
2,5-dihydroxy-N-methyl-N-(3-methylphenyl)benzamide
CID 103892363
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide
CID 118238040
3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide
CID 107872797
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62979099

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide (CID 62160905) is 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(N(C)C(=O)c2cc(Br)cnc2N)c1.
What is the InChIKey of 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is ZGAORGCNHDLIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-4-3-5-11(6-9)18(2)14(19)12-7-10(15)8-17-13(12)16/h3-8H,1-2H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide 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 2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62160905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).