1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide

C15H25N3O3 — CID 103919605

IUPAC1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCCCCCO)ccc1=O
InChIInChI=1S/C15H25N3O3/c1-2-3-11-18-14(20)9-8-13(17-18)15(21)16-10-6-4-5-7-12-19/h8-9,19H,2-7,10-12H2,1H3,(H,16,21)
InChIKeyBODAFUMXQKAQIK-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.33
Rot. Bonds10

About 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide (PubChem CID 103919605) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
PubChem CID103919605
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCCCCCO)ccc1=O
InChIInChI=1S/C15H25N3O3/c1-2-3-11-18-14(20)9-8-13(17-18)15(21)16-10-6-4-5-7-12-19/h8-9,19H,2-7,10-12H2,1H3,(H,16,21)
InChIKeyBODAFUMXQKAQIK-UHFFFAOYSA-N
XLogP1.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.33
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

1-butyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 103767607
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
CID 103862339
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904
N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49003488
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide (CID 103919605) is 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCCCCCCO)ccc1=O.
What is the InChIKey of 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is BODAFUMXQKAQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-3-11-18-14(20)9-8-13(17-18)15(21)16-10-6-4-5-7-12-19/h8-9,19H,2-7,10-12H2,1H3,(H,16,21).
What are the key properties of 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 103919605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).