N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide

C23H21N5OS — CID 122322025

IUPACN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)c3ccc(-c4cccs4)cc3)cc2)c1
InChIInChI=1S/C23H21N5OS/c1-28(2)20-14-22(27-24-15-20)25-18-9-11-19(12-10-18)26-23(29)17-7-5-16(6-8-17)21-4-3-13-30-21/h3-15H,1-2H3,(H,25,27)(H,26,29)
InChIKeyFSOPDMVWTXSBPG-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.27
Rot. Bonds6

About N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide (PubChem CID 122322025) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
PubChem CID122322025
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)c3ccc(-c4cccs4)cc3)cc2)c1
InChIInChI=1S/C23H21N5OS/c1-28(2)20-14-22(27-24-15-20)25-18-9-11-19(12-10-18)26-23(29)17-7-5-16(6-8-17)21-4-3-13-30-21/h3-15H,1-2H3,(H,25,27)(H,26,29)
InChIKeyFSOPDMVWTXSBPG-UHFFFAOYSA-N
XLogP5.27
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
CID 122321800
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
CID 122322054
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-4-carboxamide
CID 122322071
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
CID 122316024
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
CID 122321830
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
CID 122321847
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 122321908
1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321903
N-naphthalen-2-yl-4-thiophen-2-ylbenzamide
CID 59673380
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide
CID 122300522
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321905

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide (CID 122322025) is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide is CN(C)c1cnnc(Nc2ccc(NC(=O)c3ccc(-c4cccs4)cc3)cc2)c1.
What is the InChIKey of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide?
The InChIKey is FSOPDMVWTXSBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-28(2)20-14-22(27-24-15-20)25-18-9-11-19(12-10-18)26-23(29)17-7-5-16(6-8-17)21-4-3-13-30-21/h3-15H,1-2H3,(H,25,27)(H,26,29).
What are the key properties of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide?
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 122322025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).