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

C12H17BrN4O — CID 82704950

IUPACN-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN4O/c1-9-6-14-4-5-17(9)8-12(18)16-11-3-2-10(13)7-15-11/h2-3,7,9,14H,4-6,8H2,1H3,(H,15,16,18)/t9-/m0/s1
InChIKeyCSSVSQKSERPEHN-VIFPVBQESA-N
MW313.20 g/mol
LogP1.08
Rot. Bonds3

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

N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82704950) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82704950
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN4O/c1-9-6-14-4-5-17(9)8-12(18)16-11-3-2-10(13)7-15-11/h2-3,7,9,14H,4-6,8H2,1H3,(H,15,16,18)/t9-/m0/s1
InChIKeyCSSVSQKSERPEHN-VIFPVBQESA-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-(5-bromo-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869936
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672270
N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755103
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82714024
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 47130960
N-(2-ethoxyphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62671745

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82704950) is N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is C[C@H]1CNCCN1CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is CSSVSQKSERPEHN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-9-6-14-4-5-17(9)8-12(18)16-11-3-2-10(13)7-15-11/h2-3,7,9,14H,4-6,8H2,1H3,(H,15,16,18)/t9-/m0/s1.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-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-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82704950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).