5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide

C14H16Br2N4O — CID 162076548

IUPAC5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C)c(Br)cn1.Cc1cc(N)ncc1Br
InChIInChI=1S/C8H9BrN2O.C6H7BrN2/c1-5-3-8(11-6(2)12)10-4-7(5)9;1-4-2-6(8)9-3-5(4)7/h3-4H,1-2H3,(H,10,11,12);2-3H,1H3,(H2,8,9)
InChIKeyZBTWRZFKCSHSOP-UHFFFAOYSA-N
MW416.12 g/mol
LogP3.85
Rot. Bonds1

About 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide

5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide (PubChem CID 162076548) has the molecular formula C14H16Br2N4O and a molecular weight of 416.12 g/mol. Its IUPAC name is 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
PubChem CID162076548
Molecular FormulaC14H16Br2N4O
Molecular Weight416.12 g/mol
Exact Mass413.97
IUPAC Name5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C)c(Br)cn1.Cc1cc(N)ncc1Br
InChIInChI=1S/C8H9BrN2O.C6H7BrN2/c1-5-3-8(11-6(2)12)10-4-7(5)9;1-4-2-6(8)9-3-5(4)7/h3-4H,1-2H3,(H,10,11,12);2-3H,1H3,(H2,8,9)
InChIKeyZBTWRZFKCSHSOP-UHFFFAOYSA-N
XLogP3.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.12
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
1-amino-N-(5-bromo-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 79734115
N-(4-amino-5-methyl-2-pyridinyl)acetamide
CID 66747868
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 79734498
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
CID 79733803
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79734496

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide (CID 162076548) is 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide is CC(=O)Nc1cc(C)c(Br)cn1.Cc1cc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide?
The InChIKey is ZBTWRZFKCSHSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O.C6H7BrN2/c1-5-3-8(11-6(2)12)10-4-7(5)9;1-4-2-6(8)9-3-5(4)7/h3-4H,1-2H3,(H,10,11,12);2-3H,1H3,(H2,8,9).
What are the key properties of 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide?
5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide has a molecular weight of 416.12 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 162076548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).