N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

C21H24N6O4S — CID 10204622

IUPACN-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1nc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C21H24N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,11,26H,10,12-13H2,1-2H3,(H,23,28)(H2,22,24,25)
InChIKeyZZCGYYMWYHEEBE-UHFFFAOYSA-N
MW456.53 g/mol
LogP1.10
Rot. Bonds8

About N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 10204622) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID10204622
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC NameN-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1nc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C21H24N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,11,26H,10,12-13H2,1-2H3,(H,23,28)(H2,22,24,25)
InChIKeyZZCGYYMWYHEEBE-UHFFFAOYSA-N
XLogP1.10
TPSA149.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 10204622) is N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is Cc1nc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O.
What is the InChIKey of N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is ZZCGYYMWYHEEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,11,26H,10,12-13H2,1-2H3,(H,23,28)(H2,22,24,25).
What are the key properties of N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 456.53 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-methylpyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 10204622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).