N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide

C19H22N8O3S — CID 159503943

IUPACN-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(C(C)C)nn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C19H22N8O3S/c1-11(2)12-7-8-15(25-24-12)23-16-10-13(17(27-26-16)19(28)20-3)22-18-14(31(4,29)30)6-5-9-21-18/h5-11H,1-4H3,(H,20,28)(H2,21,22,23,25,26)
InChIKeyLZSYHKDUOLYCCQ-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.04
Rot. Bonds7

About N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide

N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide (PubChem CID 159503943) has the molecular formula C19H22N8O3S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide
PubChem CID159503943
Molecular FormulaC19H22N8O3S
Molecular Weight442.51 g/mol
Exact Mass442.15
IUPAC NameN-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(C(C)C)nn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C19H22N8O3S/c1-11(2)12-7-8-15(25-24-12)23-16-10-13(17(27-26-16)19(28)20-3)22-18-14(31(4,29)30)6-5-9-21-18/h5-11H,1-4H3,(H,20,28)(H2,21,22,23,25,26)
InChIKeyLZSYHKDUOLYCCQ-UHFFFAOYSA-N
XLogP2.04
TPSA151.75 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide (CID 159503943) is N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccc(C(C)C)nn2)cc1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide?
The InChIKey is LZSYHKDUOLYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O3S/c1-11(2)12-7-8-15(25-24-12)23-16-10-13(17(27-26-16)19(28)20-3)22-18-14(31(4,29)30)6-5-9-21-18/h5-11H,1-4H3,(H,20,28)(H2,21,22,23,25,26).
What are the key properties of N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide?
N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(6-propan-2-ylpyridazin-3-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 159503943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).