N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide

C10H13BrN2O — CID 178084977

IUPACN-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)c(Br)c(C)n1
InChIInChI=1S/C10H13BrN2O/c1-6-4-9(5-12-8(3)14)13-7(2)10(6)11/h4H,5H2,1-3H3,(H,12,14)
InChIKeyAGKKGHGFOYYDMW-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.10
Rot. Bonds2

About N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide

N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide (PubChem CID 178084977) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide
PubChem CID178084977
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)c(Br)c(C)n1
InChIInChI=1S/C10H13BrN2O/c1-6-4-9(5-12-8(3)14)13-7(2)10(6)11/h4H,5H2,1-3H3,(H,12,14)
InChIKeyAGKKGHGFOYYDMW-UHFFFAOYSA-N
XLogP2.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

WP-1066
CID 11210478
Mol-4239
CID 44554865
Degrasyn
CID 11222830
3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 70701134
Acetamide, N,N'-((2,6-pyridylidene)dimethylene)di-
CID 49857
(2E)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylpropyl]-2-propenamide
CID 24995743
(E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-(1-phenylbutyl)prop-2-enamide
CID 87227359
3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide
CID 57519511
N-(5-bromo-2-methylpyridin-3-yl)acetamide
CID 67151326
(2E)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylbutyl]-2-propenamide
CID 72757535
N-((5-bromopyridin-2-yl)methyl)acetamide
CID 86729300
N-[(R)-1-(5-bromo-3-fluoro-pyridin-2-yl)-ethyl]-acetamide
CID 68521974

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide (CID 178084977) is N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide is CC(=O)NCc1cc(C)c(Br)c(C)n1.
What is the InChIKey of N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide?
The InChIKey is AGKKGHGFOYYDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-6-4-9(5-12-8(3)14)13-7(2)10(6)11/h4H,5H2,1-3H3,(H,12,14).
What are the key properties of N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide?
N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide has a molecular weight of 257.13 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4,6-dimethyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 178084977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).