N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

C24H31N5O6 — CID 4835852

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H31N5O6/c1-3-5-9-27(20-21(25)28(8-4-2)24(33)26-22(20)31)23(32)15-12-19(30)29(14-15)16-6-7-17-18(13-16)35-11-10-34-17/h6-7,13,15H,3-5,8-12,14,25H2,1-2H3,(H,26,31,33)
InChIKeyAPTVXPAWUWYEOB-UHFFFAOYSA-N
MW485.54 g/mol
LogP1.49
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4835852) has the molecular formula C24H31N5O6 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4835852
Molecular FormulaC24H31N5O6
Molecular Weight485.54 g/mol
Exact Mass485.23
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H31N5O6/c1-3-5-9-27(20-21(25)28(8-4-2)24(33)26-22(20)31)23(32)15-12-19(30)29(14-15)16-6-7-17-18(13-16)35-11-10-34-17/h6-7,13,15H,3-5,8-12,14,25H2,1-2H3,(H,26,31,33)
InChIKeyAPTVXPAWUWYEOB-UHFFFAOYSA-N
XLogP1.49
TPSA139.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 11948728
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 2561217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4591414
N-(tert-Butylcarbamoyl-methyl)-N-cyclopropyl-N'-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-oxalamide
CID 24792459
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 663585
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2986800
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 666990
1-(3-Ethyl-ureido)-cyclohexanecarboxylic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
CID 1444530
2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide
CID 2464094
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dioxo-1-pyrrolidinyl)hexanamide
CID 2964886
N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 2983943
N-Butyl-N-cyclopentylcarbamoylmethyl-N'-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-oxalamide
CID 3221300

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 4835852) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is CCCCN(C(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is APTVXPAWUWYEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O6/c1-3-5-9-27(20-21(25)28(8-4-2)24(33)26-22(20)31)23(32)15-12-19(30)29(14-15)16-6-7-17-18(13-16)35-11-10-34-17/h6-7,13,15H,3-5,8-12,14,25H2,1-2H3,(H,26,31,33).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4835852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).