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

C21H22N6O — CID 121028453

IUPAC6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H22N6O/c28-20(24-21-22-11-4-12-23-21)18-7-8-19(26-25-18)27-13-9-17(10-14-27)15-16-5-2-1-3-6-16/h1-8,11-12,17H,9-10,13-15H2,(H,22,23,24,28)
InChIKeyBHPKAQJIVRHNEV-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.98
Rot. Bonds5

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

6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide (PubChem CID 121028453) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
PubChem CID121028453
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H22N6O/c28-20(24-21-22-11-4-12-23-21)18-7-8-19(26-25-18)27-13-9-17(10-14-27)15-16-5-2-1-3-6-16/h1-8,11-12,17H,9-10,13-15H2,(H,22,23,24,28)
InChIKeyBHPKAQJIVRHNEV-UHFFFAOYSA-N
XLogP2.98
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
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-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
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
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
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide (CID 121028453) is 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide is O=C(Nc1ncccn1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide?
The InChIKey is BHPKAQJIVRHNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-20(24-21-22-11-4-12-23-21)18-7-8-19(26-25-18)27-13-9-17(10-14-27)15-16-5-2-1-3-6-16/h1-8,11-12,17H,9-10,13-15H2,(H,22,23,24,28).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).