N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

C23H25N5O3 — CID 4785048

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25N5O3/c1-15-12-17-10-6-7-11-18(17)27(15)14-19(29)26(2)20-21(24)28(23(31)25-22(20)30)13-16-8-4-3-5-9-16/h3-11,15H,12-14,24H2,1-2H3,(H,25,30,31)
InChIKeyDRGTZRSCUUCBFC-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.58
Rot. Bonds5

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 4785048) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID4785048
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25N5O3/c1-15-12-17-10-6-7-11-18(17)27(15)14-19(29)26(2)20-21(24)28(23(31)25-22(20)30)13-16-8-4-3-5-9-16/h3-11,15H,12-14,24H2,1-2H3,(H,25,30,31)
InChIKeyDRGTZRSCUUCBFC-UHFFFAOYSA-N
XLogP1.58
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (CID 4785048) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is CC1Cc2ccccc2N1CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is DRGTZRSCUUCBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-12-17-10-6-7-11-18(17)27(15)14-19(29)26(2)20-21(24)28(23(31)25-22(20)30)13-16-8-4-3-5-9-16/h3-11,15H,12-14,24H2,1-2H3,(H,25,30,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 419.49 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 4785048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).