4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

C19H24N4O4 — CID 169420572

IUPAC4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1(O)CCN(C(=O)C2=NNC(=O)CC2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O4/c1-13(14-5-3-2-4-6-14)20-18(26)19(27)9-11-23(12-10-19)17(25)15-7-8-16(24)22-21-15/h2-6,13,27H,7-12H2,1H3,(H,20,26)(H,22,24)
InChIKeyUQJWIQNRUOYFGB-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.48
Rot. Bonds4

About 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 169420572) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID169420572
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1(O)CCN(C(=O)C2=NNC(=O)CC2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O4/c1-13(14-5-3-2-4-6-14)20-18(26)19(27)9-11-23(12-10-19)17(25)15-7-8-16(24)22-21-15/h2-6,13,27H,7-12H2,1H3,(H,20,26)(H,22,24)
InChIKeyUQJWIQNRUOYFGB-UHFFFAOYSA-N
XLogP0.48
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid
CID 63123691
2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681223
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 43351344
1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975402
3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 63106781
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110741310
4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide
CID 99579255
1-(azepane-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975396
6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397582
1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527743
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 169420572) is 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1(O)CCN(C(=O)C2=NNC(=O)CC2)CC1)c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is UQJWIQNRUOYFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13(14-5-3-2-4-6-14)20-18(26)19(27)9-11-23(12-10-19)17(25)15-7-8-16(24)22-21-15/h2-6,13,27H,7-12H2,1H3,(H,20,26)(H,22,24).
What are the key properties of 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 169420572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).