2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide

C25H22N6O3 — CID 6417496

IUPAC2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide
SMILESNC(C(=O)NOc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C25H22N6O3/c26-23(18-11-5-2-6-12-18)24(32)31-34-21-14-8-7-13-20(21)27-25(33)28-22-16-15-19(29-30-22)17-9-3-1-4-10-17/h1-16,23H,26H2,(H,31,32)(H2,27,28,30,33)
InChIKeyJSRVRDLTSNBKKN-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.90
Rot. Bonds7

About 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide

2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide (PubChem CID 6417496) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide
PubChem CID6417496
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC Name2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide
SMILESNC(C(=O)NOc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C25H22N6O3/c26-23(18-11-5-2-6-12-18)24(32)31-34-21-14-8-7-13-20(21)27-25(33)28-22-16-15-19(29-30-22)17-9-3-1-4-10-17/h1-16,23H,26H2,(H,31,32)(H2,27,28,30,33)
InChIKeyJSRVRDLTSNBKKN-UHFFFAOYSA-N
XLogP3.90
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(4-chlorophenyl)propanoate
CID 6417465
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(3-fluorophenyl)propanoate
CID 6417494
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(4-methoxyphenyl)propanoate
CID 6417506
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-(2-fluorophenyl)propanoate
CID 6417493
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 3-amino-3-(4-bromophenyl)propanoate
CID 6417637
1-[2-[[3-(carbamoylamino)phenoxy]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea
CID 6417633
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate
CID 6417616
[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-3-(2-bromophenyl)propanoate
CID 6417715
[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 2-amino-5-bromopyridine-3-carboxylate
CID 6417635
[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-amino-5-methylhexanoate
CID 6417770
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide?
The IUPAC name of 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide (CID 6417496) is 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide?
The canonical SMILES for 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide is NC(C(=O)NOc1ccccc1NC(=O)Nc1ccc(-c2ccccc2)nn1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide?
The InChIKey is JSRVRDLTSNBKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c26-23(18-11-5-2-6-12-18)24(32)31-34-21-14-8-7-13-20(21)27-25(33)28-22-16-15-19(29-30-22)17-9-3-1-4-10-17/h1-16,23H,26H2,(H,31,32)(H2,27,28,30,33).
What are the key properties of 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide?
2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide has a molecular weight of 454.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide is sourced from PubChem (CID 6417496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).