1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone

C15H16BrN3O — CID 133451908

IUPAC1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CNc2ccc(Br)c(C)n2)nc1C
InChIInChI=1S/C15H16BrN3O/c1-9-13(11(3)20)5-4-12(18-9)8-17-15-7-6-14(16)10(2)19-15/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyFUQDFRVBLAMAPK-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.67
Rot. Bonds4

About 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone

1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone (PubChem CID 133451908) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone
PubChem CID133451908
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CNc2ccc(Br)c(C)n2)nc1C
InChIInChI=1S/C15H16BrN3O/c1-9-13(11(3)20)5-4-12(18-9)8-17-15-7-6-14(16)10(2)19-15/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyFUQDFRVBLAMAPK-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone with MolForge

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Related Compounds

1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one
CID 146999410
5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 58338424
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061079
5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 103934170
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide
CID 120993695
5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine
CID 115148384
2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
CID 106239798
(2R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]butan-2-ol
CID 126988382
5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
CID 133451900
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115148277

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone (CID 133451908) is 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone is CC(=O)c1ccc(CNc2ccc(Br)c(C)n2)nc1C.
What is the InChIKey of 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone?
The InChIKey is FUQDFRVBLAMAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-9-13(11(3)20)5-4-12(18-9)8-17-15-7-6-14(16)10(2)19-15/h4-7H,8H2,1-3H3,(H,17,19).
What are the key properties of 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone?
1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone has a molecular weight of 334.22 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone is sourced from PubChem (CID 133451908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).