N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C18H22N6O2 — CID 108985554

IUPACN-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCN(CCc1ccncc1)C(=O)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N6O2/c1-22(10-5-15-3-8-19-9-4-15)16(25)17(26)23-11-13-24(14-12-23)18-20-6-2-7-21-18/h2-4,6-9H,5,10-14H2,1H3
InChIKeyPYWQYGNMVZSGGJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.22
Rot. Bonds4

About N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108985554) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID108985554
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCN(CCc1ccncc1)C(=O)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N6O2/c1-22(10-5-15-3-8-19-9-4-15)16(25)17(26)23-11-13-24(14-12-23)18-20-6-2-7-21-18/h2-4,6-9H,5,10-14H2,1H3
InChIKeyPYWQYGNMVZSGGJ-UHFFFAOYSA-N
XLogP0.22
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide with MolForge

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Related Compounds

2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108984450
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 108989247
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 35560039
N-benzyl-2-oxo-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108528253
3-[methyl-(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61186045
2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108985566
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113164847
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8682026
2-(2-hydroxyethylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 29022062

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 108985554) is N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CN(CCc1ccncc1)C(=O)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is PYWQYGNMVZSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-22(10-5-15-3-8-19-9-4-15)16(25)17(26)23-11-13-24(14-12-23)18-20-6-2-7-21-18/h2-4,6-9H,5,10-14H2,1H3.
What are the key properties of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108985554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).