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

C20H21N5O — CID 122321800

IUPACN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Nc2cc(N(C)C)cnn2)cc1
InChIInChI=1S/C20H21N5O/c1-14-6-4-5-7-18(14)20(26)23-16-10-8-15(9-11-16)22-19-12-17(25(2)3)13-21-24-19/h4-13H,1-3H3,(H,22,24)(H,23,26)
InChIKeyMUBOSUKLSHQYBL-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.85
Rot. Bonds5

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

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide (PubChem CID 122321800) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
PubChem CID122321800
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Nc2cc(N(C)C)cnn2)cc1
InChIInChI=1S/C20H21N5O/c1-14-6-4-5-7-18(14)20(26)23-16-10-8-15(9-11-16)22-19-12-17(25(2)3)13-21-24-19/h4-13H,1-3H3,(H,22,24)(H,23,26)
InChIKeyMUBOSUKLSHQYBL-UHFFFAOYSA-N
XLogP3.85
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
CID 122321830
2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354511
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
CID 122322054
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
CID 122321847
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-4-carboxamide
CID 122322071
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
CID 122322025
3-(2-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122322151
1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321903
2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]benzamide
CID 112990340
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 122321946
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 122321908
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]-2-methylbenzamide?
The IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide (CID 122321800) is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(Nc2cc(N(C)C)cnn2)cc1.
What is the InChIKey of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide?
The InChIKey is MUBOSUKLSHQYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-6-4-5-7-18(14)20(26)23-16-10-8-15(9-11-16)22-19-12-17(25(2)3)13-21-24-19/h4-13H,1-3H3,(H,22,24)(H,23,26).
What are the key properties of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide?
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide is sourced from PubChem (CID 122321800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).