N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide

C24H25FN4O4 — CID 166203769

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3cccc(-n4[nH]c(=O)ccc4=O)c3)cc2F)CC(C)O1
InChIInChI=1S/C24H25FN4O4/c1-15-13-28(14-16(2)33-15)21-7-6-17(10-20(21)25)12-26-24(32)18-4-3-5-19(11-18)29-23(31)9-8-22(30)27-29/h3-11,15-16H,12-14H2,1-2H3,(H,26,32)(H,27,30)
InChIKeyBPZBLYMARSIJOI-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.21
Rot. Bonds5

About N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide (PubChem CID 166203769) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
PubChem CID166203769
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3cccc(-n4[nH]c(=O)ccc4=O)c3)cc2F)CC(C)O1
InChIInChI=1S/C24H25FN4O4/c1-15-13-28(14-16(2)33-15)21-7-6-17(10-20(21)25)12-26-24(32)18-4-3-5-19(11-18)29-23(31)9-8-22(30)27-29/h3-11,15-16H,12-14H2,1-2H3,(H,26,32)(H,27,30)
InChIKeyBPZBLYMARSIJOI-UHFFFAOYSA-N
XLogP2.21
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3,4-dimethylbenzamide
CID 55876400
4-carbamothioyl-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]benzamide
CID 94840333
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 55876538
N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55877442
5-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
CID 94617347
N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 52534775
3-bromo-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1H-indole-2-carboxamide
CID 55993730
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-thiophen-2-ylacetamide
CID 55877812
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
CID 94679072

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide (CID 166203769) is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide is CC1CN(c2ccc(CNC(=O)c3cccc(-n4[nH]c(=O)ccc4=O)c3)cc2F)CC(C)O1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
The InChIKey is BPZBLYMARSIJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-15-13-28(14-16(2)33-15)21-7-6-17(10-20(21)25)12-26-24(32)18-4-3-5-19(11-18)29-23(31)9-8-22(30)27-29/h3-11,15-16H,12-14H2,1-2H3,(H,26,32)(H,27,30).
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide?
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide has a molecular weight of 452.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide is sourced from PubChem (CID 166203769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).