2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide

C12H19BrN4O — CID 79531880

IUPAC2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ncc(N)cc1Br
InChIInChI=1S/C12H19BrN4O/c1-4-17(5-2)11(18)8-16(3)12-10(13)6-9(14)7-15-12/h6-7H,4-5,8,14H2,1-3H3
InChIKeyJOOVZOYHOHEZEY-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.73
Rot. Bonds5

About 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide

2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide (PubChem CID 79531880) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide
PubChem CID79531880
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ncc(N)cc1Br
InChIInChI=1S/C12H19BrN4O/c1-4-17(5-2)11(18)8-16(3)12-10(13)6-9(14)7-15-12/h6-7H,4-5,8,14H2,1-3H3
InChIKeyJOOVZOYHOHEZEY-UHFFFAOYSA-N
XLogP1.73
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
2-[(5-bromo-3-nitro-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 61455761
1-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79534481
2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
CID 62673044
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid
CID 114047069
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
CID 82965351
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80808538
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160095
2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
CID 71863717

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide (CID 79531880) is 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1ncc(N)cc1Br.
What is the InChIKey of 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide?
The InChIKey is JOOVZOYHOHEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-4-17(5-2)11(18)8-16(3)12-10(13)6-9(14)7-15-12/h6-7H,4-5,8,14H2,1-3H3.
What are the key properties of 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide?
2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide has a molecular weight of 315.22 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 79531880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).