6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

C17H19N5O4S — CID 155517088

IUPAC6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H19N5O4S/c1-18-17(24)15-12(9-14(21-22-15)20-16(23)10-7-8-10)19-11-5-3-4-6-13(11)27(2,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)/i1D3
InChIKeyNAQXRHXESYEFJR-FIBGUPNXSA-N
MW392.46 g/mol
LogP1.33
Rot. Bonds7

About 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 155517088) has the molecular formula C17H19N5O4S and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID155517088
Molecular FormulaC17H19N5O4S
Molecular Weight392.46 g/mol
Exact Mass392.13
IUPAC Name6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H19N5O4S/c1-18-17(24)15-12(9-14(21-22-15)20-16(23)10-7-8-10)19-11-5-3-4-6-13(11)27(2,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)/i1D3
InChIKeyNAQXRHXESYEFJR-FIBGUPNXSA-N
XLogP1.33
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 155517088) is 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is NAQXRHXESYEFJR-FIBGUPNXSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-18-17(24)15-12(9-14(21-22-15)20-16(23)10-7-8-10)19-11-5-3-4-6-13(11)27(2,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)/i1D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 155517088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).