5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide

C14H14BrN3O — CID 63332915

IUPAC5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)cnc2C)cc1Br
InChIInChI=1S/C14H14BrN3O/c1-8-3-4-11(6-13(8)15)18-14(19)12-5-10(16)7-17-9(12)2/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyKNUCMCBKQCJCOK-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.30
Rot. Bonds2

About 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide

5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide (PubChem CID 63332915) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide
PubChem CID63332915
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)cnc2C)cc1Br
InChIInChI=1S/C14H14BrN3O/c1-8-3-4-11(6-13(8)15)18-14(19)12-5-10(16)7-17-9(12)2/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyKNUCMCBKQCJCOK-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

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Related Compounds

5-amino-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54914178
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide
CID 107571106
5-amino-N-(4-fluoro-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 62811391
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068
methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
CID 61117590
5-amino-N-(2,5-dibromophenyl)-2-methylpyridine-3-carboxamide
CID 61466356
5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186
5-amino-N-(3,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 54914274
N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226921
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
5-amino-N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 61039080
5-amino-2-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 54917395

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide (CID 63332915) is 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(N)cnc2C)cc1Br.
What is the InChIKey of 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is KNUCMCBKQCJCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-3-4-11(6-13(8)15)18-14(19)12-5-10(16)7-17-9(12)2/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide?
5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide 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 5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 63332915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).