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

C21H23N5O — CID 122321830

IUPACN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(Nc3cc(N(C)C)cnn3)cc2)c1
InChIInChI=1S/C21H23N5O/c1-14-5-6-15(2)19(11-14)21(27)24-17-9-7-16(8-10-17)23-20-12-18(26(3)4)13-22-25-20/h5-13H,1-4H3,(H,23,25)(H,24,27)
InChIKeyUESKWMIIXRWEKD-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.16
Rot. Bonds5

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

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide (PubChem CID 122321830) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
PubChem CID122321830
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(Nc3cc(N(C)C)cnn3)cc2)c1
InChIInChI=1S/C21H23N5O/c1-14-5-6-15(2)19(11-14)21(27)24-17-9-7-16(8-10-17)23-20-12-18(26(3)4)13-22-25-20/h5-13H,1-4H3,(H,23,25)(H,24,27)
InChIKeyUESKWMIIXRWEKD-UHFFFAOYSA-N
XLogP4.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
CID 122321800
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
1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321903
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
CID 122322054
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321905
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
CID 122322025
2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316210
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 122321908
(E)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122322027
3-(2-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122322151
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 122322066

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide (CID 122321830) is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2ccc(Nc3cc(N(C)C)cnn3)cc2)c1.
What is the InChIKey of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide?
The InChIKey is UESKWMIIXRWEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-5-6-15(2)19(11-14)21(27)24-17-9-7-16(8-10-17)23-20-12-18(26(3)4)13-22-25-20/h5-13H,1-4H3,(H,23,25)(H,24,27).
What are the key properties of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide?
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.16, 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]-2,5-dimethylbenzamide is sourced from PubChem (CID 122321830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).