N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C12H17BrN4O — CID 104975239

IUPACN-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CCN1
InChIInChI=1S/C12H17BrN4O/c1-9-7-17(5-4-14-9)8-12(18)16-11-3-2-10(13)6-15-11/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,15,16,18)/t9-/m1/s1
InChIKeyZBLNLQYMLGVZCE-SECBINFHSA-N
MW313.20 g/mol
LogP1.08
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104975239) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
PubChem CID104975239
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CCN1
InChIInChI=1S/C12H17BrN4O/c1-9-7-17(5-4-14-9)8-12(18)16-11-3-2-10(13)6-15-11/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,15,16,18)/t9-/m1/s1
InChIKeyZBLNLQYMLGVZCE-SECBINFHSA-N
XLogP1.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975668
N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104977127
2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
CID 65450346
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86913488
2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 79994575
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(2-bromo-4-methylphenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975690
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305446

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 104975239) is N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is C[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CCN1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is ZBLNLQYMLGVZCE-SECBINFHSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-9-7-17(5-4-14-9)8-12(18)16-11-3-2-10(13)6-15-11/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,15,16,18)/t9-/m1/s1.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 313.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104975239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).