6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide

C20H26N4O — CID 164640331

IUPAC6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide
SMILESCN1CCCC(C)(C)[C@@H]1CNC(=O)c1cnnc(-c2ccccc2)c1
InChIInChI=1S/C20H26N4O/c1-20(2)10-7-11-24(3)18(20)14-21-19(25)16-12-17(23-22-13-16)15-8-5-4-6-9-15/h4-6,8-9,12-13,18H,7,10-11,14H2,1-3H3,(H,21,25)/t18-/m0/s1
InChIKeyVKSDORGXJQLBCP-SFHVURJKSA-N
MW338.46 g/mol
LogP2.99
Rot. Bonds4

About 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide

6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide (PubChem CID 164640331) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide
PubChem CID164640331
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide
SMILESCN1CCCC(C)(C)[C@@H]1CNC(=O)c1cnnc(-c2ccccc2)c1
InChIInChI=1S/C20H26N4O/c1-20(2)10-7-11-24(3)18(20)14-21-19(25)16-12-17(23-22-13-16)15-8-5-4-6-9-15/h4-6,8-9,12-13,18H,7,10-11,14H2,1-3H3,(H,21,25)/t18-/m0/s1
InChIKeyVKSDORGXJQLBCP-SFHVURJKSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-4-ylphenyl)propan-2-yl]benzamide
CID 45268510
N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 44522215
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-3-ylphenyl)propan-2-yl]benzamide
CID 45272752
4-fluoro-N-(2-oxo-2-(phenyl(pyridazin-3-yl)methylamino)ethyl)benzamide
CID 44578960
6-Methyl-pyridazine-4-carboxylic acid[3-(4-tert-butylcarbamoyl-piperidin-1-ylmethyl)-phenyl]-amide
CID 118521899
US10689345, Example 67
CID 122590485
6-methyl-4-oxo-1-propan-2-yl-N-(pyridazin-3-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 127053910
5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-yl-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 127053917
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-4-carboxamide
CID 129626086
N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
CID 155555793
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 44374633
N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide
CID 45137574

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide (CID 164640331) is 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide is CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cnnc(-c2ccccc2)c1.
What is the InChIKey of 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is VKSDORGXJQLBCP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2)10-7-11-24(3)18(20)14-21-19(25)16-12-17(23-22-13-16)15-8-5-4-6-9-15/h4-6,8-9,12-13,18H,7,10-11,14H2,1-3H3,(H,21,25)/t18-/m0/s1.
What are the key properties of 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide?
6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 164640331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).