N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C20H22N6O5S — CID 55667044

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(C(=O)CN(C)S(=O)(=O)c1cccnc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H22N6O5S/c1-24(32(30,31)15-9-6-10-22-11-15)13-16(27)25(2)17-18(21)26(20(29)23-19(17)28)12-14-7-4-3-5-8-14/h3-11H,12-13,21H2,1-2H3,(H,23,28,29)
InChIKeyZQDJHGLSMCPEOV-UHFFFAOYSA-N
MW458.50 g/mol
LogP-0.15
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 55667044) has the molecular formula C20H22N6O5S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID55667044
Molecular FormulaC20H22N6O5S
Molecular Weight458.50 g/mol
Exact Mass458.14
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(C(=O)CN(C)S(=O)(=O)c1cccnc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H22N6O5S/c1-24(32(30,31)15-9-6-10-22-11-15)13-16(27)25(2)17-18(21)26(20(29)23-19(17)28)12-14-7-4-3-5-8-14/h3-11H,12-13,21H2,1-2H3,(H,23,28,29)
InChIKeyZQDJHGLSMCPEOV-UHFFFAOYSA-N
XLogP-0.15
TPSA151.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 55667044) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CN(C(=O)CN(C)S(=O)(=O)c1cccnc1)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-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is ZQDJHGLSMCPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5S/c1-24(32(30,31)15-9-6-10-22-11-15)13-16(27)25(2)17-18(21)26(20(29)23-19(17)28)12-14-7-4-3-5-8-14/h3-11H,12-13,21H2,1-2H3,(H,23,28,29).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 458.50 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55667044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).