11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid

C16H25N3O4 — CID 108793495

IUPAC11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
SMILESO=C(O)CCCCCCCCCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H25N3O4/c20-14-11-10-13(18-19-14)16(23)17-12-8-6-4-2-1-3-5-7-9-15(21)22/h10-11H,1-9,12H2,(H,17,23)(H,19,20)(H,21,22)
InChIKeyBEODEFNAAUINTP-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.10
Rot. Bonds12

About 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid

11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid (PubChem CID 108793495) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid.

Molecular Properties

Compound Name11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
PubChem CID108793495
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
SMILESO=C(O)CCCCCCCCCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H25N3O4/c20-14-11-10-13(18-19-14)16(23)17-12-8-6-4-2-1-3-5-7-9-15(21)22/h10-11H,1-9,12H2,(H,17,23)(H,19,20)(H,21,22)
InChIKeyBEODEFNAAUINTP-UHFFFAOYSA-N
XLogP2.10
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30541088
6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
CID 108926634
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
CID 108573584
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 102685093
tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate
CID 108918758
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682

Frequently Asked Questions

What is the IUPAC name of 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid?
The IUPAC name of 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid (CID 108793495) is 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid.
What is the SMILES notation for 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid?
The canonical SMILES for 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid is O=C(O)CCCCCCCCCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid?
The InChIKey is BEODEFNAAUINTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c20-14-11-10-13(18-19-14)16(23)17-12-8-6-4-2-1-3-5-7-9-15(21)22/h10-11H,1-9,12H2,(H,17,23)(H,19,20)(H,21,22).
What are the key properties of 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid?
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.10, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid is sourced from PubChem (CID 108793495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).