N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide

C24H28N4O3S — CID 26347713

IUPACN-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C24H28N4O3S/c1-27(24(31)21-8-5-15-32-21)20(16-17-6-3-2-4-7-17)18-11-13-28(14-12-18)23(30)19-9-10-22(29)26-25-19/h2-8,15,18,20H,9-14,16H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyFORGLRRWWUHVDX-HXUWFJFHSA-N
MW452.58 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide

N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide (PubChem CID 26347713) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide
PubChem CID26347713
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C24H28N4O3S/c1-27(24(31)21-8-5-15-32-21)20(16-17-6-3-2-4-7-17)18-11-13-28(14-12-18)23(30)19-9-10-22(29)26-25-19/h2-8,15,18,20H,9-14,16H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyFORGLRRWWUHVDX-HXUWFJFHSA-N
XLogP2.94
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,5-trimethyl-N-[(1S)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 26322188
N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45220738
N-methyl-N-[1-[1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide
CID 45232652
N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide
CID 42325225
N-methyl-N-[(1S)-2-phenyl-1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 42370017
N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 25290635
N-methyl-N-[2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 45233989
N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
CID 26329882
N-[(1S)-1-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-3-carboxamide
CID 42435726
N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42448955
3-(4-benzylsulfonylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 9299103
N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
CID 45200785

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide (CID 26347713) is N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide is CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide?
The InChIKey is FORGLRRWWUHVDX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-27(24(31)21-8-5-15-32-21)20(16-17-6-3-2-4-7-17)18-11-13-28(14-12-18)23(30)19-9-10-22(29)26-25-19/h2-8,15,18,20H,9-14,16H2,1H3,(H,26,29)/t20-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide?
N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 26347713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).