2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide

C22H23N5O — CID 122354511

IUPAC2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1
InChIInChI=1S/C22H23N5O/c1-16-6-2-3-7-20(16)22(28)25-18-10-8-17(9-11-18)24-21-14-19(15-23-26-21)27-12-4-5-13-27/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,24,26)(H,25,28)
InChIKeyZKPDGRPPDPPLRN-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.38
Rot. Bonds5

About 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide

2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide (PubChem CID 122354511) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
PubChem CID122354511
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1
InChIInChI=1S/C22H23N5O/c1-16-6-2-3-7-20(16)22(28)25-18-10-8-17(9-11-18)24-21-14-19(15-23-26-21)27-12-4-5-13-27/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,24,26)(H,25,28)
InChIKeyZKPDGRPPDPPLRN-UHFFFAOYSA-N
XLogP4.38
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354908
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
CID 122321800
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide
CID 122354646
3-(2-chlorophenyl)-5-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122354878
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
1-(4-ethoxyphenyl)-3-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354587
1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea
CID 122354873
2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122354678
2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122354566
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122354695
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354978
3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122354772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide (CID 122354511) is 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide?
The InChIKey is ZKPDGRPPDPPLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-6-2-3-7-20(16)22(28)25-18-10-8-17(9-11-18)24-21-14-19(15-23-26-21)27-12-4-5-13-27/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide?
2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 122354511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).