2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide

C12H17BrN4O2 — CID 119874977

IUPAC2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)C(=O)C(C)(C)N
InChIInChI=1S/C12H17BrN4O2/c1-12(2,14)11(19)17(3)7-10(18)16-9-5-4-8(13)6-15-9/h4-6H,7,14H2,1-3H3,(H,15,16,18)
InChIKeySOKKXXATODAHRZ-UHFFFAOYSA-N
MW329.20 g/mol
LogP0.98
Rot. Bonds4

About 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide

2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide (PubChem CID 119874977) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
PubChem CID119874977
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)C(=O)C(C)(C)N
InChIInChI=1S/C12H17BrN4O2/c1-12(2,14)11(19)17(3)7-10(18)16-9-5-4-8(13)6-15-9/h4-6H,7,14H2,1-3H3,(H,15,16,18)
InChIKeySOKKXXATODAHRZ-UHFFFAOYSA-N
XLogP0.98
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
CID 119875009
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62820100
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 120903166
methyl 3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62011505
2-amino-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 61265039
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 119875021
2-[3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoylamino]thiophene-3-carboxamide
CID 56549482
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide (CID 119874977) is 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide is CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide?
The InChIKey is SOKKXXATODAHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-12(2,14)11(19)17(3)7-10(18)16-9-5-4-8(13)6-15-9/h4-6H,7,14H2,1-3H3,(H,15,16,18).
What are the key properties of 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide?
2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide has a molecular weight of 329.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 119874977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).