N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide

C12H12BrN5O — CID 84591088

IUPACN-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)c1ncccn1
InChIInChI=1S/C12H12BrN5O/c1-18(12-14-5-2-6-15-12)8-11(19)17-10-4-3-9(13)7-16-10/h2-7H,8H2,1H3,(H,16,17,19)
InChIKeySXVBEPIVOHWFNN-UHFFFAOYSA-N
MW322.17 g/mol
LogP1.71
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide

N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide (PubChem CID 84591088) has the molecular formula C12H12BrN5O and a molecular weight of 322.17 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
PubChem CID84591088
Molecular FormulaC12H12BrN5O
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)c1ncccn1
InChIInChI=1S/C12H12BrN5O/c1-18(12-14-5-2-6-15-12)8-11(19)17-10-4-3-9(13)7-16-10/h2-7H,8H2,1H3,(H,16,17,19)
InChIKeySXVBEPIVOHWFNN-UHFFFAOYSA-N
XLogP1.71
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
CID 119874977
N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 38171990
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
CID 63873061
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 46665804
methyl 3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62011505
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide
CID 71975683

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide (CID 84591088) is N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide is CN(CC(=O)Nc1ccc(Br)cn1)c1ncccn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The InChIKey is SXVBEPIVOHWFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O/c1-18(12-14-5-2-6-15-12)8-11(19)17-10-4-3-9(13)7-16-10/h2-7H,8H2,1H3,(H,16,17,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide has a molecular weight of 322.17 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 84591088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).