2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide

C12H18BrN3O — CID 115773860

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
SMILESCc1cc(N(C)CC(=O)NC(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)15-12(17)7-16(4)11-5-9(3)10(13)6-14-11/h5-6,8H,7H2,1-4H3,(H,15,17)
InChIKeyUEXAVNPYPTVOHN-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.11
Rot. Bonds4

About 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide

2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 115773860) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
PubChem CID115773860
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
SMILESCc1cc(N(C)CC(=O)NC(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)15-12(17)7-16(4)11-5-9(3)10(13)6-14-11/h5-6,8H,7H2,1-4H3,(H,15,17)
InChIKeyUEXAVNPYPTVOHN-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 115773945
2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55206707
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
CID 114869917
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113340036
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80630228
5-bromo-N,4-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115147221
(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid
CID 69045703
3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 115898860
2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 55132276
ethyl 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]propanoate
CID 115899127

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide (CID 115773860) is 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide is Cc1cc(N(C)CC(=O)NC(C)C)ncc1Br.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is UEXAVNPYPTVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8(2)15-12(17)7-16(4)11-5-9(3)10(13)6-14-11/h5-6,8H,7H2,1-4H3,(H,15,17).
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 300.20 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 115773860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).