1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide

C18H19N5O — CID 174579240

IUPAC1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C18H19N5O/c19-12-16-6-7-17(22-21-16)20-18(24)15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,15H,8-11,13H2,(H,20,22,24)
InChIKeyWAMJEFRXJJWRPB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.20
Rot. Bonds4

About 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide

1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 174579240) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide
PubChem CID174579240
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C18H19N5O/c19-12-16-6-7-17(22-21-16)20-18(24)15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,15H,8-11,13H2,(H,20,22,24)
InChIKeyWAMJEFRXJJWRPB-UHFFFAOYSA-N
XLogP2.20
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 174579235
N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide
CID 113043076
1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45013570
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 9134208
N-(2-carbamoylphenyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 54373800
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide
CID 136580049
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide (CID 174579240) is 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide is N#Cc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is WAMJEFRXJJWRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-12-16-6-7-17(22-21-16)20-18(24)15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,15H,8-11,13H2,(H,20,22,24).
What are the key properties of 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide?
1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 174579240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).