1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide

C16H25N3O2 — CID 42161985

IUPAC1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2CCCCCC2)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-2-3-12-19-15(20)11-10-14(18-19)16(21)17-13-8-6-4-5-7-9-13/h10-11,13H,2-9,12H2,1H3,(H,17,21)
InChIKeyZOOMKJFLZHHAMZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.50
Rot. Bonds5

About 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide

1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide (PubChem CID 42161985) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
PubChem CID42161985
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2CCCCCC2)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-2-3-12-19-15(20)11-10-14(18-19)16(21)17-13-8-6-4-5-7-9-13/h10-11,13H,2-9,12H2,1H3,(H,17,21)
InChIKeyZOOMKJFLZHHAMZ-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide
CID 134029553
[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-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
[2-(cyclopentylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080249
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide
CID 62896815
1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 32559088
1-[3-(cycloheptylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066145
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
CID 115877901

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide (CID 42161985) is 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC2CCCCCC2)ccc1=O.
What is the InChIKey of 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZOOMKJFLZHHAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-3-12-19-15(20)11-10-14(18-19)16(21)17-13-8-6-4-5-7-9-13/h10-11,13H,2-9,12H2,1H3,(H,17,21).
What are the key properties of 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide?
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).