2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

C23H24N4O4 — CID 7422451

IUPAC2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1OC
InChIInChI=1S/C23H24N4O4/c1-29-20-8-4-7-18(22(20)30-2)23(28)24-17-6-3-5-16(15-17)19-9-10-21(26-25-19)27-11-13-31-14-12-27/h3-10,15H,11-14H2,1-2H3,(H,24,28)
InChIKeyTTYHGICNKHQCEC-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.25
Rot. Bonds6

About 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7422451) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7422451
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1OC
InChIInChI=1S/C23H24N4O4/c1-29-20-8-4-7-18(22(20)30-2)23(28)24-17-6-3-5-16(15-17)19-9-10-21(26-25-19)27-11-13-31-14-12-27/h3-10,15H,11-14H2,1-2H3,(H,24,28)
InChIKeyTTYHGICNKHQCEC-UHFFFAOYSA-N
XLogP3.25
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Cyclopropyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-benzamide
CID 646176
{4-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-morpholin-4-yl-methanone
CID 6411210
N-Cyclohexyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-N-methyl-benzamide
CID 6411222
(3,4-Dimethoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292478
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422448
4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422449
3,4-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422452
2,6-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7593191
3,4-diethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 16800085
(2-Methoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292474
{4-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-morpholin-4-yl-methanone
CID 6411247
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7422451) is 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is TTYHGICNKHQCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-29-20-8-4-7-18(22(20)30-2)23(28)24-17-6-3-5-16(15-17)19-9-10-21(26-25-19)27-11-13-31-14-12-27/h3-10,15H,11-14H2,1-2H3,(H,24,28).
What are the key properties of 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).