6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide

C16H18N4O2 — CID 110745882

IUPAC6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H18N4O2/c21-15-7-6-14(18-19-15)16(22)17-12-8-10-20(11-9-12)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,17,22)(H,19,21)
InChIKeyWDYJGDUIAIUQIT-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.17
Rot. Bonds3

About 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide

6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide (PubChem CID 110745882) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
PubChem CID110745882
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H18N4O2/c21-15-7-6-14(18-19-15)16(22)17-12-8-10-20(11-9-12)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,17,22)(H,19,21)
InChIKeyWDYJGDUIAIUQIT-UHFFFAOYSA-N
XLogP1.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 939768
6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide
CID 939759
N-(2-Acetylamino-phenyl)-3-[(2-oxo-2-piperidin-1-yl-acetyl)-hydrazono]-butyramide
CID 9594115
1-butyl-N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide
CID 2461863
2-[2-(1-methyl-4-piperidinylidene)hydrazino]-2-oxo-N-phenylacetamide
CID 2854488
N-[2-(Dimethylamino)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-YL)-1,6-dihydropyridazin-1-YL]acetamide
CID 16024655
2-{6-Acetyl-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-C]pyridazin-2-YL}-N-(3-fluorophenyl)acetamide
CID 83272212
6-({3-[(4-fluorophenyl)amino]-1-piperidinyl}carbonyl)-4,5-dihydro-3(2H)-pyridazinone
CID 24817154
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-1-methyl-6-oxo-3-pyridazinecarboxamide
CID 25163641
N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 940465
1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 2469397
N-(2-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 4780429

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide (CID 110745882) is 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide is O=C(NC1CCN(c2ccccc2)CC1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide?
The InChIKey is WDYJGDUIAIUQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15-7-6-14(18-19-15)16(22)17-12-8-10-20(11-9-12)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,17,22)(H,19,21).
What are the key properties of 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110745882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).