N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide

C23H26N6O5S — CID 90456640

IUPACN-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C23H26N6O5S/c1-4-34-23-20(29-7-9-33-10-8-29)13-19(27-28-23)18-12-17(14-25-15(18)2)26-22(30)16-5-6-24-21(11-16)35(3,31)32/h5-6,11-14H,4,7-10H2,1-3H3,(H,26,30)
InChIKeyIODGBFCCDJEFEY-UHFFFAOYSA-N
MW498.57 g/mol
LogP2.13
Rot. Bonds7

About N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide

N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (PubChem CID 90456640) has the molecular formula C23H26N6O5S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
PubChem CID90456640
Molecular FormulaC23H26N6O5S
Molecular Weight498.57 g/mol
Exact Mass498.17
IUPAC NameN-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C23H26N6O5S/c1-4-34-23-20(29-7-9-33-10-8-29)13-19(27-28-23)18-12-17(14-25-15(18)2)26-22(30)16-5-6-24-21(11-16)35(3,31)32/h5-6,11-14H,4,7-10H2,1-3H3,(H,26,30)
InChIKeyIODGBFCCDJEFEY-UHFFFAOYSA-N
XLogP2.13
TPSA136.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (CID 90456640) is N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is CCOc1nnc(-c2cc(NC(=O)c3ccnc(S(C)(=O)=O)c3)cnc2C)cc1N1CCOCC1.
What is the InChIKey of N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The InChIKey is IODGBFCCDJEFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5S/c1-4-34-23-20(29-7-9-33-10-8-29)13-19(27-28-23)18-12-17(14-25-15(18)2)26-22(30)16-5-6-24-21(11-16)35(3,31)32/h5-6,11-14H,4,7-10H2,1-3H3,(H,26,30).
What are the key properties of N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide has a molecular weight of 498.57 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 90456640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).