2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C21H26N6O3 — CID 35919090

IUPAC2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1C
InChIInChI=1S/C21H26N6O3/c1-14-6-5-7-17(15(14)2)23-18(28)13-26-8-10-27(11-9-26)19-16(12-22)20(29)25(4)21(30)24(19)3/h5-7H,8-11,13H2,1-4H3,(H,23,28)
InChIKeyRDAFBSYXIPZOMR-UHFFFAOYSA-N
MW410.48 g/mol
LogP0.33
Rot. Bonds4

About 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 35919090) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID35919090
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1C
InChIInChI=1S/C21H26N6O3/c1-14-6-5-7-17(15(14)2)23-18(28)13-26-8-10-27(11-9-26)19-16(12-22)20(29)25(4)21(30)24(19)3/h5-7H,8-11,13H2,1-4H3,(H,23,28)
InChIKeyRDAFBSYXIPZOMR-UHFFFAOYSA-N
XLogP0.33
TPSA103.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35919099
2-[4-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 30396646
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6465296
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9435279
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide
CID 133424314
3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 30740971
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
N-(2,3-dimethylphenyl)-2-[4-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazin-1-yl]acetamide
CID 9245431

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 35919090) is 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1C.
What is the InChIKey of 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is RDAFBSYXIPZOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14-6-5-7-17(15(14)2)23-18(28)13-26-8-10-27(11-9-26)19-16(12-22)20(29)25(4)21(30)24(19)3/h5-7H,8-11,13H2,1-4H3,(H,23,28).
What are the key properties of 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 410.48 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 35919090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).