6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C17H18F2N6O4S — CID 158488350

IUPAC6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C17H18F2N6O4S/c1-20-16(27)13-10(22-14-11(30(2,28)29)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9/h3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26)
InChIKeyNJICFQWGYWVAED-UHFFFAOYSA-N
MW440.43 g/mol
LogP1.36
Rot. Bonds6

About 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 158488350) has the molecular formula C17H18F2N6O4S and a molecular weight of 440.43 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID158488350
Molecular FormulaC17H18F2N6O4S
Molecular Weight440.43 g/mol
Exact Mass440.11
IUPAC Name6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C17H18F2N6O4S/c1-20-16(27)13-10(22-14-11(30(2,28)29)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9/h3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26)
InChIKeyNJICFQWGYWVAED-UHFFFAOYSA-N
XLogP1.36
TPSA143.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide
CID 159503943
6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150986956
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-(cyclopropanecarbonylamino)-4-[(3-cyclopropylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166130739
6-(cyclopropanecarbonylamino)-4-[[5-(2-hydroxypropan-2-yl)-3-methylsulfonyl-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171456823
methyl N-[5-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
CID 166130736
6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
CID 176774472
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;5-methylpyridin-2-amine
CID 159860535
4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 176774476
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 159860536
6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171612375

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 158488350) is 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is NJICFQWGYWVAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O4S/c1-20-16(27)13-10(22-14-11(30(2,28)29)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9/h3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26).
What are the key properties of 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 158488350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).