N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide

C16H26N4O — CID 109113045

IUPACN-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NC2CCCCC2)nn1
InChIInChI=1S/C16H26N4O/c1-2-3-7-12-17-15-11-10-14(19-20-15)16(21)18-13-8-5-4-6-9-13/h10-11,13H,2-9,12H2,1H3,(H,17,20)(H,18,21)
InChIKeyYZQSDCQCOGUPMT-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds7

About N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide

N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide (PubChem CID 109113045) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
PubChem CID109113045
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NC2CCCCC2)nn1
InChIInChI=1S/C16H26N4O/c1-2-3-7-12-17-15-11-10-14(19-20-15)16(21)18-13-8-5-4-6-9-13/h10-11,13H,2-9,12H2,1H3,(H,17,20)(H,18,21)
InChIKeyYZQSDCQCOGUPMT-UHFFFAOYSA-N
XLogP3.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
N-cyclohexyl-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109112980
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(butan-2-ylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109111349
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109112300
6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridazine-3-carboxamide
CID 55042745
N-cyclohexyl-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109112985
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide (CID 109113045) is N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide is CCCCCNc1ccc(C(=O)NC2CCCCC2)nn1.
What is the InChIKey of N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide?
The InChIKey is YZQSDCQCOGUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-3-7-12-17-15-11-10-14(19-20-15)16(21)18-13-8-5-4-6-9-13/h10-11,13H,2-9,12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide?
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).