N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide

C22H22N8O — CID 122326948

IUPACN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)c3cccc(-n4cccn4)c3)nn2)nc1
InChIInChI=1S/C22H22N8O/c1-16-6-7-19(25-15-16)27-21-9-8-20(28-29-21)23-11-12-24-22(31)17-4-2-5-18(14-17)30-13-3-10-26-30/h2-10,13-15H,11-12H2,1H3,(H,23,28)(H,24,31)(H,25,27,29)
InChIKeyUJWGNJDQDWBXSE-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.95
Rot. Bonds8

About N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide

N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide (PubChem CID 122326948) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
PubChem CID122326948
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)c3cccc(-n4cccn4)c3)nn2)nc1
InChIInChI=1S/C22H22N8O/c1-16-6-7-19(25-15-16)27-21-9-8-20(28-29-21)23-11-12-24-22(31)17-4-2-5-18(14-17)30-13-3-10-26-30/h2-10,13-15H,11-12H2,1H3,(H,23,28)(H,24,31)(H,25,27,29)
InChIKeyUJWGNJDQDWBXSE-UHFFFAOYSA-N
XLogP2.95
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
2-methoxy-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122326966
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122327044
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497
5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
CID 122326959
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122326918
1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122326916
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850
3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064834
4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122326956

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide (CID 122326948) is N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide is Cc1ccc(Nc2ccc(NCCNC(=O)c3cccc(-n4cccn4)c3)nn2)nc1.
What is the InChIKey of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is UJWGNJDQDWBXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-16-6-7-19(25-15-16)27-21-9-8-20(28-29-21)23-11-12-24-22(31)17-4-2-5-18(14-17)30-13-3-10-26-30/h2-10,13-15H,11-12H2,1H3,(H,23,28)(H,24,31)(H,25,27,29).
What are the key properties of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide?
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 414.47 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 122326948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).