6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide

C23H30N4O2 — CID 134005162

IUPAC6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C23H30N4O2/c28-21-13-12-20(25-27(21)19-10-4-1-5-11-19)22(29)24-18-23(14-6-2-7-15-23)26-16-8-3-9-17-26/h1,4-5,10-13H,2-3,6-9,14-18H2,(H,24,29)
InChIKeyXDAUEYRJWRJQBI-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.15
Rot. Bonds5

About 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide

6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide (PubChem CID 134005162) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide
PubChem CID134005162
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C23H30N4O2/c28-21-13-12-20(25-27(21)19-10-4-1-5-11-19)22(29)24-18-23(14-6-2-7-15-23)26-16-8-3-9-17-26/h1,4-5,10-13H,2-3,6-9,14-18H2,(H,24,29)
InChIKeyXDAUEYRJWRJQBI-UHFFFAOYSA-N
XLogP3.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide (CID 134005162) is 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide?
The InChIKey is XDAUEYRJWRJQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-21-13-12-20(25-27(21)19-10-4-1-5-11-19)22(29)24-18-23(14-6-2-7-15-23)26-16-8-3-9-17-26/h1,4-5,10-13H,2-3,6-9,14-18H2,(H,24,29).
What are the key properties of 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide?
6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 134005162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).