2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide

C12H18BrN3O — CID 103108096

IUPAC2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(Br)cn1
InChIInChI=1S/C12H18BrN3O/c1-4-16(3)12(17)9(2)14-8-11-6-5-10(13)7-15-11/h5-7,9,14H,4,8H2,1-3H3
InChIKeyNFXKWURXUWNLLL-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.80
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide

2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103108096) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID103108096
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(Br)cn1
InChIInChI=1S/C12H18BrN3O/c1-4-16(3)12(17)9(2)14-8-11-6-5-10(13)7-15-11/h5-7,9,14H,4,8H2,1-3H3
InChIKeyNFXKWURXUWNLLL-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
N-ethyl-N-methyl-2-(pyrazin-2-ylmethylamino)propanamide
CID 103107971
2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923461
N-ethyl-N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide
CID 103108067
2-[(5-bromo-2-nitrophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107680
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
2-[(3-bromo-2,6-difluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 106263803
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
CID 115622616
N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
CID 107731050
N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide
CID 103107020
N-ethyl-N-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propanamide
CID 103107651
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111680

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide (CID 103108096) is 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is NFXKWURXUWNLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-4-16(3)12(17)9(2)14-8-11-6-5-10(13)7-15-11/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).