[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate

C15H18N4O4S — CID 123249562

IUPAC[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
SMILESCC(=O)Nc1cc(-c2cnc(C)c(OS(=O)(=O)N(C)C)c2)ccn1
InChIInChI=1S/C15H18N4O4S/c1-10-14(23-24(21,22)19(3)4)7-13(9-17-10)12-5-6-16-15(8-12)18-11(2)20/h5-9H,1-4H3,(H,16,18,20)
InChIKeyGBGCUQUKCPULJR-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.60
Rot. Bonds5

About [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate

[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate (PubChem CID 123249562) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
PubChem CID123249562
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
SMILESCC(=O)Nc1cc(-c2cnc(C)c(OS(=O)(=O)N(C)C)c2)ccn1
InChIInChI=1S/C15H18N4O4S/c1-10-14(23-24(21,22)19(3)4)7-13(9-17-10)12-5-6-16-15(8-12)18-11(2)20/h5-9H,1-4H3,(H,16,18,20)
InChIKeyGBGCUQUKCPULJR-UHFFFAOYSA-N
XLogP1.60
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293605
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 123524378
N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118237846
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249007
N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 163420371
N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293464
ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide
CID 144889218

Frequently Asked Questions

What is the IUPAC name of [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate?
The IUPAC name of [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate (CID 123249562) is [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate.
What is the SMILES notation for [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate?
The canonical SMILES for [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate is CC(=O)Nc1cc(-c2cnc(C)c(OS(=O)(=O)N(C)C)c2)ccn1.
What is the InChIKey of [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate?
The InChIKey is GBGCUQUKCPULJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-10-14(23-24(21,22)19(3)4)7-13(9-17-10)12-5-6-16-15(8-12)18-11(2)20/h5-9H,1-4H3,(H,16,18,20).
What are the key properties of [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate?
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate has a molecular weight of 350.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate is sourced from PubChem (CID 123249562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).