methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate

C15H18N6O5S — CID 168736586

IUPACmethyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)OC)cc1Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H18N6O5S/c1-16-14(22)13-11(8-12(19-20-13)18-15(23)26-2)17-9-6-4-5-7-10(9)21-27(3,24)25/h4-8,21H,1-3H3,(H,16,22)(H2,17,18,19,23)/i1D3
InChIKeyCDMZTFXUSMSWDW-FIBGUPNXSA-N
MW397.43 g/mol
LogP1.13
Rot. Bonds7

About methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate

methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate (PubChem CID 168736586) has the molecular formula C15H18N6O5S and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
PubChem CID168736586
Molecular FormulaC15H18N6O5S
Molecular Weight397.43 g/mol
Exact Mass397.12
IUPAC Namemethyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)OC)cc1Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H18N6O5S/c1-16-14(22)13-11(8-12(19-20-13)18-15(23)26-2)17-9-6-4-5-7-10(9)21-27(3,24)25/h4-8,21H,1-3H3,(H,16,22)(H2,17,18,19,23)/i1D3
InChIKeyCDMZTFXUSMSWDW-FIBGUPNXSA-N
XLogP1.13
TPSA151.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

methyl N-[5-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
CID 166130736
6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171612375
6-(cyclopropanecarbonylamino)-4-[3-[5-(methanesulfonamido)-1,3-thiazol-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584933
4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138911330
methyl N-[5-[3-[5-(dimethylcarbamoyl)-1,3-thiazol-2-yl]-2-methoxyanilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
CID 168736593
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(methanesulfonamido)ethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584870
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(pyridin-2-ylsulfonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021012
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(2-methylimidazol-1-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171604026
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(3-oxopyrrolidin-1-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171604087
tert-butyl N-[2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]-1,3-thiazol-5-yl]carbamate
CID 166584857

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate (CID 168736586) is methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)OC)cc1Nc1ccccc1NS(C)(=O)=O.
What is the InChIKey of methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate?
The InChIKey is CDMZTFXUSMSWDW-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H18N6O5S/c1-16-14(22)13-11(8-12(19-20-13)18-15(23)26-2)17-9-6-4-5-7-10(9)21-27(3,24)25/h4-8,21H,1-3H3,(H,16,22)(H2,17,18,19,23)/i1D3.
What are the key properties of methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate?
methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate has a molecular weight of 397.43 g/mol, XLogP of 1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 168736586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).