N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide

C22H31N5O3 — CID 2654369

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C22H31N5O3/c1-4-5-11-26(18(28)14-25-12-10-16-8-6-7-9-17(16)25)19-20(23)27(13-15(2)3)22(30)24-21(19)29/h6-9,15H,4-5,10-14,23H2,1-3H3,(H,24,29,30)
InChIKeyMSJZGCWCJMZFIT-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.97
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide (PubChem CID 2654369) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide
PubChem CID2654369
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C22H31N5O3/c1-4-5-11-26(18(28)14-25-12-10-16-8-6-7-9-17(16)25)19-20(23)27(13-15(2)3)22(30)24-21(19)29/h6-9,15H,4-5,10-14,23H2,1-3H3,(H,24,29,30)
InChIKeyMSJZGCWCJMZFIT-UHFFFAOYSA-N
XLogP1.97
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 41079630
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 4786209
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-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26211171
2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 55639219
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682212
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655260
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(2-chlorophenyl)propanamide
CID 31492440
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999301
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]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide
CID 42999835
6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 51284663

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide (CID 2654369) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide is CCCCN(C(=O)CN1CCc2ccccc21)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-2-(2,3-dihydroindol-1-yl)acetamide?
The InChIKey is MSJZGCWCJMZFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-4-5-11-26(18(28)14-25-12-10-16-8-6-7-9-17(16)25)19-20(23)27(13-15(2)3)22(30)24-21(19)29/h6-9,15H,4-5,10-14,23H2,1-3H3,(H,24,29,30).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 1.97, 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-2-(2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 2654369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).