N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide

C17H20N8O — CID 122288674

IUPACN-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1ccnc(Nc2ccc(NCCNC(=O)Cn3cccn3)nn2)c1
InChIInChI=1S/C17H20N8O/c1-13-5-7-18-16(11-13)22-15-4-3-14(23-24-15)19-8-9-20-17(26)12-25-10-2-6-21-25/h2-7,10-11H,8-9,12H2,1H3,(H,19,23)(H,20,26)(H,18,22,24)
InChIKeyMQSINFZRHRUYEH-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.35
Rot. Bonds8

About N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide

N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 122288674) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
PubChem CID122288674
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1ccnc(Nc2ccc(NCCNC(=O)Cn3cccn3)nn2)c1
InChIInChI=1S/C17H20N8O/c1-13-5-7-18-16(11-13)22-15-4-3-14(23-24-15)19-8-9-20-17(26)12-25-10-2-6-21-25/h2-7,10-11H,8-9,12H2,1H3,(H,19,23)(H,20,26)(H,18,22,24)
InChIKeyMQSINFZRHRUYEH-UHFFFAOYSA-N
XLogP1.35
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122293156
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2,2-diphenylacetamide
CID 121064588
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531
2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064501
2-chloro-6-fluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 42111635
(E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122288698
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122288653
(E)-3-(2-fluorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122288699
1-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42111656
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122288649
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenoxyacetamide
CID 122315365

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide (CID 122288674) is N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide is Cc1ccnc(Nc2ccc(NCCNC(=O)Cn3cccn3)nn2)c1.
What is the InChIKey of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is MQSINFZRHRUYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-13-5-7-18-16(11-13)22-15-4-3-14(23-24-15)19-8-9-20-17(26)12-25-10-2-6-21-25/h2-7,10-11H,8-9,12H2,1H3,(H,19,23)(H,20,26)(H,18,22,24).
What are the key properties of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide?
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 352.40 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 122288674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).