6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H20N4O2 — CID 110667794

IUPAC6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(N3CCCCC3)c2)=NN1
InChIInChI=1S/C16H20N4O2/c21-15-8-7-14(18-19-15)16(22)17-12-5-4-6-13(11-12)20-9-2-1-3-10-20/h4-6,11H,1-3,7-10H2,(H,17,22)(H,19,21)
InChIKeyLNICNHPYZIJOFT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.88
Rot. Bonds3

About 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110667794) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110667794
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(N3CCCCC3)c2)=NN1
InChIInChI=1S/C16H20N4O2/c21-15-8-7-14(18-19-15)16(22)17-12-5-4-6-13(11-12)20-9-2-1-3-10-20/h4-6,11H,1-3,7-10H2,(H,17,22)(H,19,21)
InChIKeyLNICNHPYZIJOFT-UHFFFAOYSA-N
XLogP1.88
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(3-pyrrolidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934157
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60730194
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
N-(3-chloro-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4539970
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
N-(3-piperidin-1-ylphenyl)-1H-indazole-5-carboxamide
CID 166219800
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397568

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110667794) is 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2cccc(N3CCCCC3)c2)=NN1.
What is the InChIKey of 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is LNICNHPYZIJOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15-8-7-14(18-19-15)16(22)17-12-5-4-6-13(11-12)20-9-2-1-3-10-20/h4-6,11H,1-3,7-10H2,(H,17,22)(H,19,21).
What are the key properties of 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110667794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).