N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C19H24N4O3 — CID 47010097

IUPACN-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)CC1
InChIInChI=1S/C19H24N4O3/c1-13-4-3-5-16(12-13)23-18(25)7-6-17(21-23)19(26)20-15-8-10-22(11-9-15)14(2)24/h3-5,12,15H,6-11H2,1-2H3,(H,20,26)
InChIKeyLMCICLVIJWVKEC-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.60
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 47010097) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID47010097
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)CC1
InChIInChI=1S/C19H24N4O3/c1-13-4-3-5-16(12-13)23-18(25)7-6-17(21-23)19(26)20-15-8-10-22(11-9-15)14(2)24/h3-5,12,15H,6-11H2,1-2H3,(H,20,26)
InChIKeyLMCICLVIJWVKEC-UHFFFAOYSA-N
XLogP1.60
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941051
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 41252977
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 945249
1-(2,5-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46519529
N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 71939366
N-(4-cyanophenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26698462
1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 26955609
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
N-[4-(difluoromethoxy)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26800780
N-[2-(dimethylcarbamoyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55613221

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 47010097) is N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(=O)N1CCC(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is LMCICLVIJWVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-4-3-5-16(12-13)23-18(25)7-6-17(21-23)19(26)20-15-8-10-22(11-9-15)14(2)24/h3-5,12,15H,6-11H2,1-2H3,(H,20,26).
What are the key properties of N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 47010097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).