6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide

C20H26N4O — CID 133473201

IUPAC6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCC(C)c1ccc(CC2CCN(c3ccc(C(N)=O)nn3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-14(2)17-5-3-15(4-6-17)13-16-9-11-24(12-10-16)19-8-7-18(20(21)25)22-23-19/h3-8,14,16H,9-13H2,1-2H3,(H2,21,25)
InChIKeyMBIZRQJKRXDWCK-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.16
Rot. Bonds5

About 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide

6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 133473201) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID133473201
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCC(C)c1ccc(CC2CCN(c3ccc(C(N)=O)nn3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-14(2)17-5-3-15(4-6-17)13-16-9-11-24(12-10-16)19-8-7-18(20(21)25)22-23-19/h3-8,14,16H,9-13H2,1-2H3,(H2,21,25)
InChIKeyMBIZRQJKRXDWCK-UHFFFAOYSA-N
XLogP3.16
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one
CID 167448188
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
3-methyl-1-[6-[4-[3-oxo-3-(5-propan-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyridazin-3-yl]butan-2-one
CID 167644990
1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one
CID 178008605
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045215
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
CID 121028453
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172654

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide (CID 133473201) is 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide is CC(C)c1ccc(CC2CCN(c3ccc(C(N)=O)nn3)CC2)cc1.
What is the InChIKey of 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is MBIZRQJKRXDWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)17-5-3-15(4-6-17)13-16-9-11-24(12-10-16)19-8-7-18(20(21)25)22-23-19/h3-8,14,16H,9-13H2,1-2H3,(H2,21,25).
What are the key properties of 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide?
6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133473201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).