1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H26N4O2 — CID 51074223

IUPAC1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCC(C)(C)N2CCCCC2)CCC1=O
InChIInChI=1S/C15H26N4O2/c1-15(2,19-9-5-4-6-10-19)11-16-14(21)12-7-8-13(20)18(3)17-12/h4-11H2,1-3H3,(H,16,21)
InChIKeyXCQIWUFWLTUXFP-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.98
Rot. Bonds4

About 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 51074223) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID51074223
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCC(C)(C)N2CCCCC2)CCC1=O
InChIInChI=1S/C15H26N4O2/c1-15(2,19-9-5-4-6-10-19)11-16-14(21)12-7-8-13(20)18(3)17-12/h4-11H2,1-3H3,(H,16,21)
InChIKeyXCQIWUFWLTUXFP-UHFFFAOYSA-N
XLogP0.98
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 113246026
1-methyl-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 115701209
1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 114618304
1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
CID 30384665
4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid
CID 107473792
2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 80539041
2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 79793544
4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
CID 62042860
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450800
1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46643836

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 51074223) is 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCC(C)(C)N2CCCCC2)CCC1=O.
What is the InChIKey of 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XCQIWUFWLTUXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,19-9-5-4-6-10-19)11-16-14(21)12-7-8-13(20)18(3)17-12/h4-11H2,1-3H3,(H,16,21).
What are the key properties of 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 51074223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).