1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide

C14H22N4O2 — CID 51203850

IUPAC1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-10(2)18-8-6-11(7-9-18)15-14(20)12-4-5-13(19)17(3)16-12/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)
InChIKeyDMRXFLKOOCTFTK-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.38
Rot. Bonds3

About 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide (PubChem CID 51203850) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
PubChem CID51203850
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-10(2)18-8-6-11(7-9-18)15-14(20)12-4-5-13(19)17(3)16-12/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)
InChIKeyDMRXFLKOOCTFTK-UHFFFAOYSA-N
XLogP0.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

Analyze 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide (CID 51203850) is 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide is CC(C)N1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide?
The InChIKey is DMRXFLKOOCTFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)18-8-6-11(7-9-18)15-14(20)12-4-5-13(19)17(3)16-12/h4-5,10-11H,6-9H2,1-3H3,(H,15,20).
What are the key properties of 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.38, 3 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-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 51203850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).