4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide

C18H22N8O4S — CID 176774476

IUPAC4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
SMILESCN=S(C)(=O)c1ccc(C(N)=O)nc1Nc1cc(NC(=O)C2CC2)nnc1C(=O)NC
InChIInChI=1S/C18H22N8O4S/c1-20-18(29)14-11(8-13(25-26-14)24-17(28)9-4-5-9)23-16-12(31(3,30)21-2)7-6-10(22-16)15(19)27/h6-9H,4-5H2,1-3H3,(H2,19,27)(H,20,29)(H2,22,23,24,25,28)
InChIKeyYHUSAUABKZLNSZ-UHFFFAOYSA-N
MW446.49 g/mol
LogP0.51
Rot. Bonds7

About 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide

4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 176774476) has the molecular formula C18H22N8O4S and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
PubChem CID176774476
Molecular FormulaC18H22N8O4S
Molecular Weight446.49 g/mol
Exact Mass446.15
IUPAC Name4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
SMILESCN=S(C)(=O)c1ccc(C(N)=O)nc1Nc1cc(NC(=O)C2CC2)nnc1C(=O)NC
InChIInChI=1S/C18H22N8O4S/c1-20-18(29)14-11(8-13(25-26-14)24-17(28)9-4-5-9)23-16-12(31(3,30)21-2)7-6-10(22-16)15(19)27/h6-9H,4-5H2,1-3H3,(H2,19,27)(H,20,29)(H2,22,23,24,25,28)
InChIKeyYHUSAUABKZLNSZ-UHFFFAOYSA-N
XLogP0.51
TPSA181.42 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[3-bromo-5-(N,S-dimethylsulfonimidoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 176774503
6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
CID 176774472
6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 158488350
4-amino-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 153055210
6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171612375
6-(cyclopropanecarbonylamino)-4-[[5-(2-hydroxypropan-2-yl)-3-methylsulfonyl-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171456823
6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide
CID 177347381
4-[[6-(azetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide;hydrochloride
CID 165177729
4-[3-[4-[[(Z)-3-amino-2-(methyliminomethyl)but-2-enyl]-methylcarbamoyl]phenyl]-2-(dimethylamino)anilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 167486144
N-[7-[2-(N,S-dimethylsulfonimidoyl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]cyclopropanecarboxamide
CID 159159621
6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
CID 160880208
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164944216

Frequently Asked Questions

What is the IUPAC name of 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide (CID 176774476) is 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide is CN=S(C)(=O)c1ccc(C(N)=O)nc1Nc1cc(NC(=O)C2CC2)nnc1C(=O)NC.
What is the InChIKey of 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide?
The InChIKey is YHUSAUABKZLNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O4S/c1-20-18(29)14-11(8-13(25-26-14)24-17(28)9-4-5-9)23-16-12(31(3,30)21-2)7-6-10(22-16)15(19)27/h6-9H,4-5H2,1-3H3,(H2,19,27)(H,20,29)(H2,22,23,24,25,28).
What are the key properties of 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide?
4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-carbamoyl-3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 176774476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).