2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide

C22H30N6O — CID 122327239

IUPAC2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)CC34CC5CC(CC(C5)C3)C4)nn2)n1
InChIInChI=1S/C22H30N6O/c1-15-4-7-28(27-15)20-3-2-19(25-26-20)23-5-6-24-21(29)14-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-4,7,16-18H,5-6,8-14H2,1H3,(H,23,25)(H,24,29)
InChIKeyFYBXVYLITJGXEX-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.11
Rot. Bonds7

About 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide

2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 122327239) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID122327239
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)CC34CC5CC(CC(C5)C3)C4)nn2)n1
InChIInChI=1S/C22H30N6O/c1-15-4-7-28(27-15)20-3-2-19(25-26-20)23-5-6-24-21(29)14-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-4,7,16-18H,5-6,8-14H2,1H3,(H,23,25)(H,24,29)
InChIKeyFYBXVYLITJGXEX-UHFFFAOYSA-N
XLogP3.11
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122327081
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122327312
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327311
N-(cyclopropylmethyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133441969
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-6-oxopiperidine-3-carboxamide
CID 122327269
2-(1-adamantyl)-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122308220
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-phenoxypropanamide
CID 122327091
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]indolizine-2-carboxamide
CID 122327290
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122327261

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide (CID 122327239) is 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide is Cc1ccn(-c2ccc(NCCNC(=O)CC34CC5CC(CC(C5)C3)C4)nn2)n1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is FYBXVYLITJGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-15-4-7-28(27-15)20-3-2-19(25-26-20)23-5-6-24-21(29)14-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-4,7,16-18H,5-6,8-14H2,1H3,(H,23,25)(H,24,29).
What are the key properties of 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122327239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).