1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide

C16H25N3O2 — CID 115880517

IUPAC1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2CCC(C)(C)C2)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-4-5-10-19-14(20)7-6-13(18-19)15(21)17-12-8-9-16(2,3)11-12/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,21)
InChIKeyIHTKSOKZCXGFOT-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.35
Rot. Bonds5

About 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide (PubChem CID 115880517) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide
PubChem CID115880517
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2CCC(C)(C)C2)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-4-5-10-19-14(20)7-6-13(18-19)15(21)17-12-8-9-16(2,3)11-12/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,21)
InChIKeyIHTKSOKZCXGFOT-UHFFFAOYSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide (CID 115880517) is 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC2CCC(C)(C)C2)ccc1=O.
What is the InChIKey of 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is IHTKSOKZCXGFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-5-10-19-14(20)7-6-13(18-19)15(21)17-12-8-9-16(2,3)11-12/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,21).
What are the key properties of 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 115880517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).