1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide

C14H24N4O2 — CID 47014806

IUPAC1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2=NN(C)C(=O)CC2)CC1
InChIInChI=1S/C14H24N4O2/c1-10(2)18-8-6-11(7-9-18)15-14(20)12-4-5-13(19)17(3)16-12/h10-11H,4-9H2,1-3H3,(H,15,20)
InChIKeySTLIZOBWOUIXHL-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.58
Rot. Bonds3

About 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 47014806) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID47014806
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2=NN(C)C(=O)CC2)CC1
InChIInChI=1S/C14H24N4O2/c1-10(2)18-8-6-11(7-9-18)15-14(20)12-4-5-13(19)17(3)16-12/h10-11H,4-9H2,1-3H3,(H,15,20)
InChIKeySTLIZOBWOUIXHL-UHFFFAOYSA-N
XLogP0.58
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide (CID 47014806) is 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide is CC(C)N1CCC(NC(=O)C2=NN(C)C(=O)CC2)CC1.
What is the InChIKey of 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is STLIZOBWOUIXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)18-8-6-11(7-9-18)15-14(20)12-4-5-13(19)17(3)16-12/h10-11H,4-9H2,1-3H3,(H,15,20).
What are the key properties of 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 47014806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).