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

C21H20N6O — CID 122322054

IUPACN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)c3cc4ccccn4c3)cc2)c1
InChIInChI=1S/C21H20N6O/c1-26(2)19-12-20(25-22-13-19)23-16-6-8-17(9-7-16)24-21(28)15-11-18-5-3-4-10-27(18)14-15/h3-14H,1-2H3,(H,23,25)(H,24,28)
InChIKeySXAAKXUSQCZERB-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.79
Rot. Bonds5

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

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide (PubChem CID 122322054) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
PubChem CID122322054
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)c3cc4ccccn4c3)cc2)c1
InChIInChI=1S/C21H20N6O/c1-26(2)19-12-20(25-22-13-19)23-16-6-8-17(9-7-16)24-21(28)15-11-18-5-3-4-10-27(18)14-15/h3-14H,1-2H3,(H,23,25)(H,24,28)
InChIKeySXAAKXUSQCZERB-UHFFFAOYSA-N
XLogP3.79
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.79
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]-2-methoxypyridine-4-carboxamide
CID 122322071
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
CID 122322025
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide
CID 122325822
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-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 122322066
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
N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide
CID 122300920
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 122321946
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122321958

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide?
The IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide (CID 122322054) is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide is CN(C)c1cnnc(Nc2ccc(NC(=O)c3cc4ccccn4c3)cc2)c1.
What is the InChIKey of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide?
The InChIKey is SXAAKXUSQCZERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-26(2)19-12-20(25-22-13-19)23-16-6-8-17(9-7-16)24-21(28)15-11-18-5-3-4-10-27(18)14-15/h3-14H,1-2H3,(H,23,25)(H,24,28).
What are the key properties of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide?
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.79, 5 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]indolizine-2-carboxamide is sourced from PubChem (CID 122322054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).