N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide

C12H17ClN4O — CID 65489482

IUPACN-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide
SMILESCc1ccnc(Cl)c1NC(=O)CN1CCNCC1
InChIInChI=1S/C12H17ClN4O/c1-9-2-3-15-12(13)11(9)16-10(18)8-17-6-4-14-5-7-17/h2-3,14H,4-8H2,1H3,(H,16,18)
InChIKeyYBRLADFCVMZTJY-UHFFFAOYSA-N
MW268.75 g/mol
LogP0.89
Rot. Bonds3

About N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide

N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide (PubChem CID 65489482) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide
PubChem CID65489482
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide
SMILESCc1ccnc(Cl)c1NC(=O)CN1CCNCC1
InChIInChI=1S/C12H17ClN4O/c1-9-2-3-15-12(13)11(9)16-10(18)8-17-6-4-14-5-7-17/h2-3,14H,4-8H2,1H3,(H,16,18)
InChIKeyYBRLADFCVMZTJY-UHFFFAOYSA-N
XLogP0.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
2-[2-[(2-chloro-4-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570056
N-(4,6-dimethylpyrimidin-2-yl)-2-piperazin-1-ylacetamide
CID 43130558
N-(2-chloro-4,6-dimethylphenyl)-2-(1,4-diazepan-1-yl)acetamide;hydrochloride
CID 119906736
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119906370
N-(2,6-dimethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide
CID 120982303

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide (CID 65489482) is N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide is Cc1ccnc(Cl)c1NC(=O)CN1CCNCC1.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide?
The InChIKey is YBRLADFCVMZTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-9-2-3-15-12(13)11(9)16-10(18)8-17-6-4-14-5-7-17/h2-3,14H,4-8H2,1H3,(H,16,18).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide?
N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide has a molecular weight of 268.75 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 65489482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).