6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide

C21H28N4O2 — CID 35417792

IUPAC6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCN2CCC(C)CC2)nn1-c1ccccc1
InChIInChI=1S/C21H28N4O2/c1-16-9-13-24(14-10-16)12-6-11-22-21(27)20-19(26)15-17(2)25(23-20)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,22,27)
InChIKeyZNQGTJKDIPYFLO-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.39
Rot. Bonds6

About 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide

6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 35417792) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID35417792
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCN2CCC(C)CC2)nn1-c1ccccc1
InChIInChI=1S/C21H28N4O2/c1-16-9-13-24(14-10-16)12-6-11-22-21(27)20-19(26)15-17(2)25(23-20)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,22,27)
InChIKeyZNQGTJKDIPYFLO-UHFFFAOYSA-N
XLogP2.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
CID 38447789
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
6-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 95682618
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide
CID 35416761
N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 41278411
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51237420
6-methyl-4-oxo-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 9143796
N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 35417488
6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9075242
N-[2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17448047

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide (CID 35417792) is 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCCN2CCC(C)CC2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is ZNQGTJKDIPYFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-9-13-24(14-10-16)12-6-11-22-21(27)20-19(26)15-17(2)25(23-20)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,22,27).
What are the key properties of 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 35417792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).