6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide

C16H27N5O2 — CID 109115555

IUPAC6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(NCCN2CCOCC2)nn1
InChIInChI=1S/C16H27N5O2/c1-2-3-4-7-18-16(22)14-5-6-15(20-19-14)17-8-9-21-10-12-23-13-11-21/h5-6H,2-4,7-13H2,1H3,(H,17,20)(H,18,22)
InChIKeyYAUZUKPMNNDSNF-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.14
Rot. Bonds9

About 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide

6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide (PubChem CID 109115555) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide
PubChem CID109115555
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(NCCN2CCOCC2)nn1
InChIInChI=1S/C16H27N5O2/c1-2-3-4-7-18-16(22)14-5-6-15(20-19-14)17-8-9-21-10-12-23-13-11-21/h5-6H,2-4,7-13H2,1H3,(H,17,20)(H,18,22)
InChIKeyYAUZUKPMNNDSNF-UHFFFAOYSA-N
XLogP1.14
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.14
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

N-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115507
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115327
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109111166
6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115691
6-(2-methylpropylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109110974
N-cyclohexyl-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109112985
6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115651
6-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115658
N-(3,5-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115633
N-(3-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115615
6-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115771

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide?
The IUPAC name of 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide (CID 109115555) is 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide is CCCCCNC(=O)c1ccc(NCCN2CCOCC2)nn1.
What is the InChIKey of 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide?
The InChIKey is YAUZUKPMNNDSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-2-3-4-7-18-16(22)14-5-6-15(20-19-14)17-8-9-21-10-12-23-13-11-21/h5-6H,2-4,7-13H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide?
6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide is sourced from PubChem (CID 109115555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).