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

C18H21Cl2N5O3 — CID 2117334

IUPAC2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide
SMILESCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C18H21Cl2N5O3/c1-23-16(21)15(24-7-3-2-4-8-24)17(27)25(18(23)28)10-14(26)22-11-5-6-12(19)13(20)9-11/h5-6,9H,2-4,7-8,10,21H2,1H3,(H,22,26)
InChIKeyRFYUHTRFFODWKX-UHFFFAOYSA-N
MW426.30 g/mol
LogP2.07
Rot. Bonds4

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

2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide (PubChem CID 2117334) has the molecular formula C18H21Cl2N5O3 and a molecular weight of 426.30 g/mol. Its IUPAC name is 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide
PubChem CID2117334
Molecular FormulaC18H21Cl2N5O3
Molecular Weight426.30 g/mol
Exact Mass425.10
IUPAC Name2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide
SMILESCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C18H21Cl2N5O3/c1-23-16(21)15(24-7-3-2-4-8-24)17(27)25(18(23)28)10-14(26)22-11-5-6-12(19)13(20)9-11/h5-6,9H,2-4,7-8,10,21H2,1H3,(H,22,26)
InChIKeyRFYUHTRFFODWKX-UHFFFAOYSA-N
XLogP2.07
TPSA102.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide with MolForge

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Related Compounds

SR1848
CID 3238389
3-Chloro-1-(3,4-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 1180676
1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783423
N-(3,4-dichlorophenyl)-4-[[(2S)-4-ethylmorpholin-2-yl]methyl]piperazine-1-carboxamide
CID 11711078
N-(3,4-dichlorophenyl)-4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}piperazine-1-carboxamide
CID 1366369
Urea, N'-(3,4-dichlorophenyl)-N,N-dimethyl-, mixt. with 5-bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 165707
6-(4-(3,4-dichlorophenyl)piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 72894274
6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905880
1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 980623
N-(3,4-dichlorophenyl)-1,4'-bipiperidine-1'-carboxamide
CID 3239572
N-(3,4-Dichlorophenyl)-4-{[(3R)-1-ethylpiperidin-3-yl]methyl}piperazine-1-carboxamide
CID 11553070
N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 11632418

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide (CID 2117334) is 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide is Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is RFYUHTRFFODWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O3/c1-23-16(21)15(24-7-3-2-4-8-24)17(27)25(18(23)28)10-14(26)22-11-5-6-12(19)13(20)9-11/h5-6,9H,2-4,7-8,10,21H2,1H3,(H,22,26).
What are the key properties of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide?
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 426.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 2117334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).