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

C18H18N6O3S — CID 138911330

IUPAC4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)/i1D3
InChIKeyKUHISBZXQSKCLH-FIBGUPNXSA-N
MW401.47 g/mol
LogP2.12
Rot. Bonds7

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

4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 138911330) has the molecular formula C18H18N6O3S and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID138911330
Molecular FormulaC18H18N6O3S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC Name4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)/i1D3
InChIKeyKUHISBZXQSKCLH-FIBGUPNXSA-N
XLogP2.12
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150460664
6-[[5-(methoxymethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 151920579
6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150986956
6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171612375
methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
CID 168736586
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158922092
6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175886273
N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide
CID 159503943
6-[(6-methoxypyridazin-3-yl)amino]-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138620489
methyl N-[5-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
CID 166130736
4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
CID 123427816
4-(5-fluoro-2-methoxy-3-pyrimidin-2-ylanilino)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028782

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 138911330) is 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is KUHISBZXQSKCLH-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)/i1D3.
What are the key properties of 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 138911330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).