2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide

C12H16BrN3O — CID 112698989

IUPAC2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
SMILESCc1cc(Br)cnc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C12H16BrN3O/c1-8-5-9(13)6-14-12(8)16(2)7-11(17)15-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyOVADJJBXTWTGEL-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.87
Rot. Bonds4

About 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide

2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide (PubChem CID 112698989) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
PubChem CID112698989
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
SMILESCc1cc(Br)cnc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C12H16BrN3O/c1-8-5-9(13)6-14-12(8)16(2)7-11(17)15-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyOVADJJBXTWTGEL-UHFFFAOYSA-N
XLogP1.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61061158
2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 63728145
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 22516465
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
CID 80821198
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide
CID 64622647
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-cyclopropylacetamide
CID 103078075
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 104923944
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide (CID 112698989) is 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide is Cc1cc(Br)cnc1N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is OVADJJBXTWTGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8-5-9(13)6-14-12(8)16(2)7-11(17)15-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide?
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 298.18 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 112698989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).