6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide

C22H23N5O — CID 121028359

IUPAC6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C22H23N5O/c28-22(24-20-8-4-5-13-23-20)19-9-10-21(26-25-19)27-14-11-18(12-15-27)16-17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-16H2,(H,23,24,28)
InChIKeyUQWKSHSXOKXZTE-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.58
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide (PubChem CID 121028359) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
PubChem CID121028359
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C22H23N5O/c28-22(24-20-8-4-5-13-23-20)19-9-10-21(26-25-19)27-14-11-18(12-15-27)16-17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-16H2,(H,23,24,28)
InChIKeyUQWKSHSXOKXZTE-UHFFFAOYSA-N
XLogP3.58
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
CID 121028453
6-(4-benzylpiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide
CID 121028559
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
CID 121028392
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 71778620
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 121028505
6-(4-benzylpiperidin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)pyridazine-3-carboxamide
CID 121149048
6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide
CID 121028581

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide (CID 121028359) is 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide is O=C(Nc1ccccn1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide?
The InChIKey is UQWKSHSXOKXZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(24-20-8-4-5-13-23-20)19-9-10-21(26-25-19)27-14-11-18(12-15-27)16-17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-16H2,(H,23,24,28).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).