2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide

C19H22N6O3 — CID 2124224

IUPAC2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide
SMILESCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(C#N)c2)c1=O
InChIInChI=1S/C19H22N6O3/c1-23-17(21)16(24-8-3-2-4-9-24)18(27)25(19(23)28)12-15(26)22-14-7-5-6-13(10-14)11-20/h5-7,10H,2-4,8-9,12,21H2,1H3,(H,22,26)
InChIKeyWXIWHFYWEOVNPI-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.63
Rot. Bonds4

About 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide

2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide (PubChem CID 2124224) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide
PubChem CID2124224
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide
SMILESCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(C#N)c2)c1=O
InChIInChI=1S/C19H22N6O3/c1-23-17(21)16(24-8-3-2-4-9-24)18(27)25(19(23)28)12-15(26)22-14-7-5-6-13(10-14)11-20/h5-7,10H,2-4,8-9,12,21H2,1H3,(H,22,26)
InChIKeyWXIWHFYWEOVNPI-UHFFFAOYSA-N
XLogP0.63
TPSA126.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 39915571
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 39915561
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4843872
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 39915555
N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490825
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110864817
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
(3S)-N-(3-cyanophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086096
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
N-(3-cyanophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63609880

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide (CID 2124224) is 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide is Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(C#N)c2)c1=O.
What is the InChIKey of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide?
The InChIKey is WXIWHFYWEOVNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-23-17(21)16(24-8-3-2-4-9-24)18(27)25(19(23)28)12-15(26)22-14-7-5-6-13(10-14)11-20/h5-7,10H,2-4,8-9,12,21H2,1H3,(H,22,26).
What are the key properties of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide?
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 2124224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).