N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

C12H15ClN4O2 — CID 108517054

IUPACN-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCN1CCN(C(=O)C(=O)Nc2cccnc2Cl)CC1
InChIInChI=1S/C12H15ClN4O2/c1-16-5-7-17(8-6-16)12(19)11(18)15-9-3-2-4-14-10(9)13/h2-4H,5-8H2,1H3,(H,15,18)
InChIKeyMNOYXUGYYJPNTQ-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.45
Rot. Bonds1

About N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108517054) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108517054
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCN1CCN(C(=O)C(=O)Nc2cccnc2Cl)CC1
InChIInChI=1S/C12H15ClN4O2/c1-16-5-7-17(8-6-16)12(19)11(18)15-9-3-2-4-14-10(9)13/h2-4H,5-8H2,1H3,(H,15,18)
InChIKeyMNOYXUGYYJPNTQ-UHFFFAOYSA-N
XLogP0.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108520447
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 108522906
N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide
CID 87690825
2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108517044
N-(2-ethylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108530365
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517085
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine
CID 11219398

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (CID 108517054) is N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is CN1CCN(C(=O)C(=O)Nc2cccnc2Cl)CC1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is MNOYXUGYYJPNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-16-5-7-17(8-6-16)12(19)11(18)15-9-3-2-4-14-10(9)13/h2-4H,5-8H2,1H3,(H,15,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 282.73 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108517054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).