1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

C19H24N4O2 — CID 71795251

IUPAC1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCn1nc(N2CCCC(C(=O)NCCc3ccccc3)C2)ccc1=O
InChIInChI=1S/C19H24N4O2/c1-22-18(24)10-9-17(21-22)23-13-5-8-16(14-23)19(25)20-12-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3,(H,20,25)
InChIKeyGJTGHFAILUZNFO-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.36
Rot. Bonds5

About 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 71795251) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID71795251
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCn1nc(N2CCCC(C(=O)NCCc3ccccc3)C2)ccc1=O
InChIInChI=1S/C19H24N4O2/c1-22-18(24)10-9-17(21-22)23-13-5-8-16(14-23)19(25)20-12-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3,(H,20,25)
InChIKeyGJTGHFAILUZNFO-UHFFFAOYSA-N
XLogP1.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 90514623
(3S)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95069446
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 42654286
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95115628
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53203964
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 95985903
N-(2-phenylethyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104048
N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 71795253
N-(3-phenylpropyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
CID 42653585
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 71795272

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 71795251) is 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is Cn1nc(N2CCCC(C(=O)NCCc3ccccc3)C2)ccc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is GJTGHFAILUZNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-18(24)10-9-17(21-22)23-13-5-8-16(14-23)19(25)20-12-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3,(H,20,25).
What are the key properties of 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71795251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).