6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide

C22H24N6O4 — CID 126939877

IUPAC6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3NC(=O)c3ccc(N(C)C)nn3)n2)c1
InChIInChI=1S/C22H24N6O4/c1-27(2)20-9-7-17(24-25-20)22(30)23-18-12-32-13-19(18)28-21(29)10-8-16(26-28)14-5-4-6-15(11-14)31-3/h4-11,18-19H,12-13H2,1-3H3,(H,23,30)
InChIKeyIBNANGBABPYMTR-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.14
Rot. Bonds6

About 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide

6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide (PubChem CID 126939877) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide
PubChem CID126939877
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3NC(=O)c3ccc(N(C)C)nn3)n2)c1
InChIInChI=1S/C22H24N6O4/c1-27(2)20-9-7-17(24-25-20)22(30)23-18-12-32-13-19(18)28-21(29)10-8-16(26-28)14-5-4-6-15(11-14)31-3/h4-11,18-19H,12-13H2,1-3H3,(H,23,30)
InChIKeyIBNANGBABPYMTR-UHFFFAOYSA-N
XLogP1.14
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyrazine-2-carboxamide
CID 126939844
6-(dimethylamino)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]pyridazine-3-carboxamide
CID 126939455
6-(3-methoxyphenyl)-2-[4-[(1-methyl-6-oxopyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126940009
2-[4-[(1-hydroxycyclohexyl)methylamino]oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126940022
6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939924
2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126939925
6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939969
6-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939911
6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939935
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one
CID 126939964
7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide (CID 126939877) is 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide is COc1cccc(-c2ccc(=O)n(C3COCC3NC(=O)c3ccc(N(C)C)nn3)n2)c1.
What is the InChIKey of 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide?
The InChIKey is IBNANGBABPYMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-27(2)20-9-7-17(24-25-20)22(30)23-18-12-32-13-19(18)28-21(29)10-8-16(26-28)14-5-4-6-15(11-14)31-3/h4-11,18-19H,12-13H2,1-3H3,(H,23,30).
What are the key properties of 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide?
6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 126939877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).