N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide

C26H28N4O4 — CID 46224637

IUPACN-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide
SMILESCOc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NCC(O)c3ccccc3)nn2)CC1
InChIInChI=1S/C26H28N4O4/c1-34-23-10-6-5-9-20(23)25(32)19-13-15-30(16-14-19)24-12-11-21(28-29-24)26(33)27-17-22(31)18-7-3-2-4-8-18/h2-12,19,22,31H,13-17H2,1H3,(H,27,33)
InChIKeyPSOBORQSDNHBBG-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.05
Rot. Bonds8

About N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide

N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 46224637) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID46224637
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide
SMILESCOc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NCC(O)c3ccccc3)nn2)CC1
InChIInChI=1S/C26H28N4O4/c1-34-23-10-6-5-9-20(23)25(32)19-13-15-30(16-14-19)24-12-11-21(28-29-24)26(33)27-17-22(31)18-7-3-2-4-8-18/h2-12,19,22,31H,13-17H2,1H3,(H,27,33)
InChIKeyPSOBORQSDNHBBG-UHFFFAOYSA-N
XLogP3.05
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide (CID 46224637) is N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide is COc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NCC(O)c3ccccc3)nn2)CC1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is PSOBORQSDNHBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-34-23-10-6-5-9-20(23)25(32)19-13-15-30(16-14-19)24-12-11-21(28-29-24)26(33)27-17-22(31)18-7-3-2-4-8-18/h2-12,19,22,31H,13-17H2,1H3,(H,27,33).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide?
N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-6-[4-(2-methoxybenzoyl)piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 46224637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).