N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C11H14N4O2 — CID 116786997

IUPACN-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)C1CC2CCC1N2
InChIInChI=1S/C11H14N4O2/c16-10-4-3-9(14-15-10)13-11(17)7-5-6-1-2-8(7)12-6/h3-4,6-8,12H,1-2,5H2,(H,15,16)(H,13,14,17)
InChIKeyFCOLVCNMGWPKMR-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.15
Rot. Bonds2

About N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 116786997) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID116786997
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)C1CC2CCC1N2
InChIInChI=1S/C11H14N4O2/c16-10-4-3-9(14-15-10)13-11(17)7-5-6-1-2-8(7)12-6/h3-4,6-8,12H,1-2,5H2,(H,15,16)(H,13,14,17)
InChIKeyFCOLVCNMGWPKMR-UHFFFAOYSA-N
XLogP-0.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 104618514
3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 116786903
4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide
CID 116786888
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide
CID 104963823
N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107641674
N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 83166662
N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103814554
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746
N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 102695453
(E)-N-(6-oxo-1H-pyridazin-3-yl)but-2-enamide
CID 116786515
N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 82016005
N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107805027

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 116786997) is N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccc(=O)[nH]n1)C1CC2CCC1N2.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FCOLVCNMGWPKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-10-4-3-9(14-15-10)13-11(17)7-5-6-1-2-8(7)12-6/h3-4,6-8,12H,1-2,5H2,(H,15,16)(H,13,14,17).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 234.26 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 116786997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).