2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide

C19H25N5O3 — CID 46649887

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2C)CC1
InChIInChI=1S/C19H25N5O3/c1-3-22-8-10-23(11-9-22)16-5-4-15(12-14(16)2)20-18(26)13-24-7-6-17(25)21-19(24)27/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,26)(H,21,25,27)
InChIKeyQWSREDSHNODGGP-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.63
Rot. Bonds5

About 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide (PubChem CID 46649887) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide
PubChem CID46649887
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2C)CC1
InChIInChI=1S/C19H25N5O3/c1-3-22-8-10-23(11-9-22)16-5-4-15(12-14(16)2)20-18(26)13-24-7-6-17(25)21-19(24)27/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,26)(H,21,25,27)
InChIKeyQWSREDSHNODGGP-UHFFFAOYSA-N
XLogP0.63
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 24525463
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17455355
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]propanamide
CID 92815262
propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate
CID 24514614
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-(methanesulfonamido)benzamide
CID 41478998
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 91676100
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 36592874
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]cyclohex-3-ene-1-carboxamide
CID 24525499
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-nitrobenzamide
CID 27050616
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24525541

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide (CID 46649887) is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide is CCN1CCN(c2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2C)CC1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide?
The InChIKey is QWSREDSHNODGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-22-8-10-23(11-9-22)16-5-4-15(12-14(16)2)20-18(26)13-24-7-6-17(25)21-19(24)27/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,26)(H,21,25,27).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide is sourced from PubChem (CID 46649887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).