1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide

C14H22N4O2 — CID 78809744

IUPAC1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-8-18-9-6-11(7-10-18)15-14(20)12-4-5-13(19)17(2)16-12/h4-5,11H,3,6-10H2,1-2H3,(H,15,20)
InChIKeyRSRYCLQCGXTEQA-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.38
Rot. Bonds4

About 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide (PubChem CID 78809744) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide
PubChem CID78809744
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-8-18-9-6-11(7-10-18)15-14(20)12-4-5-13(19)17(2)16-12/h4-5,11H,3,6-10H2,1-2H3,(H,15,20)
InChIKeyRSRYCLQCGXTEQA-UHFFFAOYSA-N
XLogP0.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide (CID 78809744) is 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide is CCCN1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide?
The InChIKey is RSRYCLQCGXTEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-8-18-9-6-11(7-10-18)15-14(20)12-4-5-13(19)17(2)16-12/h4-5,11H,3,6-10H2,1-2H3,(H,15,20).
What are the key properties of 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 78809744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).