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

C25H32N6O3 — CID 45220738

IUPACN,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(Cc2ccccc2)C2CCN(C(=O)C3=NNC(=O)CC3)CC2)n(C)n1
InChIInChI=1S/C25H32N6O3/c1-17-15-22(30(3)28-17)25(34)29(2)21(16-18-7-5-4-6-8-18)19-11-13-31(14-12-19)24(33)20-9-10-23(32)27-26-20/h4-8,15,19,21H,9-14,16H2,1-3H3,(H,27,32)
InChIKeyJZNPXDLXDREZLH-UHFFFAOYSA-N
MW464.57 g/mol
LogP1.92
Rot. Bonds6

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

N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide (PubChem CID 45220738) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
PubChem CID45220738
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC NameN,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(Cc2ccccc2)C2CCN(C(=O)C3=NNC(=O)CC3)CC2)n(C)n1
InChIInChI=1S/C25H32N6O3/c1-17-15-22(30(3)28-17)25(34)29(2)21(16-18-7-5-4-6-8-18)19-11-13-31(14-12-19)24(33)20-9-10-23(32)27-26-20/h4-8,15,19,21H,9-14,16H2,1-3H3,(H,27,32)
InChIKeyJZNPXDLXDREZLH-UHFFFAOYSA-N
XLogP1.92
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methyl-N-[(1R)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]thiophene-2-carboxamide
CID 26347713
N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 45228845
N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 42366878
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 26274500
N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45209709
N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 45205013
N-[(1R)-1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42448955
N,1-dimethyl-N-[(1S)-1-[1-(2-methylsulfanylbenzoyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 26322216
N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 45185640
N,1-dimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide
CID 42482388
methyl 2-[4-[(1S)-1-[methyl-(1-methylpyrazole-3-carbonyl)amino]-2-phenylethyl]piperidine-1-carbonyl]benzoate
CID 42319511

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
The IUPAC name of 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) is N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C(Cc2ccccc2)C2CCN(C(=O)C3=NNC(=O)CC3)CC2)n(C)n1.
What is the InChIKey of N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
The InChIKey is JZNPXDLXDREZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-17-15-22(30(3)28-17)25(34)29(2)21(16-18-7-5-4-6-8-18)19-11-13-31(14-12-19)24(33)20-9-10-23(32)27-26-20/h4-8,15,19,21H,9-14,16H2,1-3H3,(H,27,32).
What are the key properties of N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 45220738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).