6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide

C13H22N4O2 — CID 115669013

IUPAC6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
SMILESCCCCOCCCNc1ccc(C(=O)NC)nn1
InChIInChI=1S/C13H22N4O2/c1-3-4-9-19-10-5-8-15-12-7-6-11(16-17-12)13(18)14-2/h6-7H,3-5,8-10H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyNFNYFLDUZOIRNL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.45
Rot. Bonds9

About 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide

6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 115669013) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
PubChem CID115669013
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
SMILESCCCCOCCCNc1ccc(C(=O)NC)nn1
InChIInChI=1S/C13H22N4O2/c1-3-4-9-19-10-5-8-15-12-7-6-11(16-17-12)13(18)14-2/h6-7H,3-5,8-10H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyNFNYFLDUZOIRNL-UHFFFAOYSA-N
XLogP1.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide
CID 133329134
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
CID 114248384
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
CID 103858516
6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290
6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 79207468
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045

Frequently Asked Questions

What is the IUPAC name of 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide (CID 115669013) is 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide is CCCCOCCCNc1ccc(C(=O)NC)nn1.
What is the InChIKey of 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide?
The InChIKey is NFNYFLDUZOIRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-4-9-19-10-5-8-15-12-7-6-11(16-17-12)13(18)14-2/h6-7H,3-5,8-10H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide?
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 115669013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).