N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide

C16H24N4O — CID 131899772

IUPACN-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
SMILESCC(C)=CCN1CCC(CNC(=O)c2ccnnc2)CC1
InChIInChI=1S/C16H24N4O/c1-13(2)4-8-20-9-5-14(6-10-20)11-17-16(21)15-3-7-18-19-12-15/h3-4,7,12,14H,5-6,8-11H2,1-2H3,(H,17,21)
InChIKeyDXTNMKJTMMIUAQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.88
Rot. Bonds5

About N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide

N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide (PubChem CID 131899772) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
PubChem CID131899772
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
SMILESCC(C)=CCN1CCC(CNC(=O)c2ccnnc2)CC1
InChIInChI=1S/C16H24N4O/c1-13(2)4-8-20-9-5-14(6-10-20)11-17-16(21)15-3-7-18-19-12-15/h3-4,7,12,14H,5-6,8-11H2,1-2H3,(H,17,21)
InChIKeyDXTNMKJTMMIUAQ-UHFFFAOYSA-N
XLogP1.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide (CID 131899772) is N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide is CC(C)=CCN1CCC(CNC(=O)c2ccnnc2)CC1.
What is the InChIKey of N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is DXTNMKJTMMIUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(2)4-8-20-9-5-14(6-10-20)11-17-16(21)15-3-7-18-19-12-15/h3-4,7,12,14H,5-6,8-11H2,1-2H3,(H,17,21).
What are the key properties of N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide?
N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131899772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).