N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide

C24H24N4O5 — CID 3224556

IUPACN-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)NC4CC4)cc3)n2)cc1OC
InChIInChI=1S/C24H24N4O5/c1-32-20-11-5-16(13-21(20)33-2)19-10-12-23(30)28(27-19)14-22(29)25-17-6-3-15(4-7-17)24(31)26-18-8-9-18/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyLMOASOOHQGPRTQ-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.46
Rot. Bonds8

About N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide

N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide (PubChem CID 3224556) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
PubChem CID3224556
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC NameN-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)NC4CC4)cc3)n2)cc1OC
InChIInChI=1S/C24H24N4O5/c1-32-20-11-5-16(13-21(20)33-2)19-10-12-23(30)28(27-19)14-22(29)25-17-6-3-15(4-7-17)24(31)26-18-8-9-18/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyLMOASOOHQGPRTQ-UHFFFAOYSA-N
XLogP2.46
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide (CID 3224556) is N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)NC4CC4)cc3)n2)cc1OC.
What is the InChIKey of N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
The InChIKey is LMOASOOHQGPRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-32-20-11-5-16(13-21(20)33-2)19-10-12-23(30)28(27-19)14-22(29)25-17-6-3-15(4-7-17)24(31)26-18-8-9-18/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide has a molecular weight of 448.48 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 3224556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).