N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C20H24N6O2 — CID 8543225

IUPACN-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccccc1N(CCC#N)C(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H24N6O2/c1-28-18-7-3-2-6-17(18)26(11-4-8-21)19(27)16-24-12-14-25(15-13-24)20-22-9-5-10-23-20/h2-3,5-7,9-10H,4,11-16H2,1H3
InChIKeyRIGNHWVAJYAPEE-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.55
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 8543225) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID8543225
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccccc1N(CCC#N)C(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H24N6O2/c1-28-18-7-3-2-6-17(18)26(11-4-8-21)19(27)16-24-12-14-25(15-13-24)20-22-9-5-10-23-20/h2-3,5-7,9-10H,4,11-16H2,1H3
InChIKeyRIGNHWVAJYAPEE-UHFFFAOYSA-N
XLogP1.55
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47073306
N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595242
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
CID 8513137
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-oxo-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 167752991
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895043
N-(2-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]-2-piperidin-1-ylacetamide
CID 3043477
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 24565043
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 110897569
N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
CID 78792864
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
CID 651792

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 8543225) is N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is COc1ccccc1N(CCC#N)C(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is RIGNHWVAJYAPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-28-18-7-3-2-6-17(18)26(11-4-8-21)19(27)16-24-12-14-25(15-13-24)20-22-9-5-10-23-20/h2-3,5-7,9-10H,4,11-16H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8543225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).