6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide

C32H34N6O4 — CID 66710739

IUPAC6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)nn3)CC2)cc1
InChIInChI=1S/C32H34N6O4/c1-22(39)25-6-8-27(9-7-25)42-28-14-18-38(19-15-28)32(41)30-11-10-29(35-36-30)31(40)34-26-12-16-37(17-13-26)21-24-4-2-23(20-33)3-5-24/h2-11,26,28H,12-19,21H2,1H3,(H,34,40)
InChIKeyACJLYGUYLHGBRM-UHFFFAOYSA-N
MW566.66 g/mol
LogP3.63
Rot. Bonds8

About 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide

6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide (PubChem CID 66710739) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide
PubChem CID66710739
Molecular FormulaC32H34N6O4
Molecular Weight566.66 g/mol
Exact Mass566.26
IUPAC Name6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)nn3)CC2)cc1
InChIInChI=1S/C32H34N6O4/c1-22(39)25-6-8-27(9-7-25)42-28-14-18-38(19-15-28)32(41)30-11-10-29(35-36-30)31(40)34-26-12-16-37(17-13-26)21-24-4-2-23(20-33)3-5-24/h2-11,26,28H,12-19,21H2,1H3,(H,34,40)
InChIKeyACJLYGUYLHGBRM-UHFFFAOYSA-N
XLogP3.63
TPSA128.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide (CID 66710739) is 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide is CC(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)nn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide?
The InChIKey is ACJLYGUYLHGBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4/c1-22(39)25-6-8-27(9-7-25)42-28-14-18-38(19-15-28)32(41)30-11-10-29(35-36-30)31(40)34-26-12-16-37(17-13-26)21-24-4-2-23(20-33)3-5-24/h2-11,26,28H,12-19,21H2,1H3,(H,34,40).
What are the key properties of 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide?
6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide has a molecular weight of 566.66 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 66710739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).