N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide

C24H33N5O4 — CID 32620204

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(N2CCCCC2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H33N5O4/c1-4-5-13-28(20-21(25)29(15-16(2)3)24(33)26-22(20)31)23(32)17-9-11-18(12-10-17)27-14-7-6-8-19(27)30/h9-12,16H,4-8,13-15,25H2,1-3H3,(H,26,31,33)
InChIKeyWUYSGVZZIQNLGS-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.74
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 32620204) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID32620204
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(N2CCCCC2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H33N5O4/c1-4-5-13-28(20-21(25)29(15-16(2)3)24(33)26-22(20)31)23(32)17-9-11-18(12-10-17)27-14-7-6-8-19(27)30/h9-12,16H,4-8,13-15,25H2,1-3H3,(H,26,31,33)
InChIKeyWUYSGVZZIQNLGS-UHFFFAOYSA-N
XLogP2.74
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25162791
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylnaphthalene-2-carboxamide
CID 26211447
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1,3-benzodioxole-5-carboxamide
CID 25162085
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 26211294
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-phenylpyrazole-4-carboxamide
CID 55413295
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55699441
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-ethoxybenzamide
CID 26211467
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-ium-1-yl)-N-butylacetamide
CID 8583532
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 55874513
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cyclohexyl(methyl)amino]acetamide
CID 4818322
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654369

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide (CID 32620204) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide is CCCCN(C(=O)c1ccc(N2CCCCC2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is WUYSGVZZIQNLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-4-5-13-28(20-21(25)29(15-16(2)3)24(33)26-22(20)31)23(32)17-9-11-18(12-10-17)27-14-7-6-8-19(27)30/h9-12,16H,4-8,13-15,25H2,1-3H3,(H,26,31,33).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 455.56 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 32620204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).