N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide

C16H25N3O2 — CID 39724166

IUPACN-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCCCCCC2)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-2-12-19-15(20)11-10-14(18-19)16(21)17-13-8-6-4-3-5-7-9-13/h10-11,13H,2-9,12H2,1H3,(H,17,21)
InChIKeyPIDSQGXYQVAOBF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.50
Rot. Bonds4

About N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide

N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 39724166) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID39724166
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCCCCCC2)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-2-12-19-15(20)11-10-14(18-19)16(21)17-13-8-6-4-3-5-7-9-13/h10-11,13H,2-9,12H2,1H3,(H,17,21)
InChIKeyPIDSQGXYQVAOBF-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
[2-(cyclopentylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080249
6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide
CID 62896815
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020
6-oxo-1-propyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridazine-3-carboxamide
CID 43063119
1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide
CID 134029553
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
1-[3-(cycloheptylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066145
[2-(cyclopentylamino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18080240
1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide
CID 115880517
N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 55599425

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide (CID 39724166) is N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC2CCCCCCC2)ccc1=O.
What is the InChIKey of N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is PIDSQGXYQVAOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-12-19-15(20)11-10-14(18-19)16(21)17-13-8-6-4-3-5-7-9-13/h10-11,13H,2-9,12H2,1H3,(H,17,21).
What are the key properties of N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide?
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 39724166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).