6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide

C19H22N6O — CID 166307167

IUPAC6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(n3cnc4ccccc43)CC2)nn1
InChIInChI=1S/C19H22N6O/c1-23(2)19(26)16-7-8-18(22-21-16)24-11-9-14(10-12-24)25-13-20-15-5-3-4-6-17(15)25/h3-8,13-14H,9-12H2,1-2H3
InChIKeyXMBVETKITPQOPR-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.37
Rot. Bonds3

About 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide

6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide (PubChem CID 166307167) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
PubChem CID166307167
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(n3cnc4ccccc43)CC2)nn1
InChIInChI=1S/C19H22N6O/c1-23(2)19(26)16-7-8-18(22-21-16)24-11-9-14(10-12-24)25-13-20-15-5-3-4-6-17(15)25/h3-8,13-14H,9-12H2,1-2H3
InChIKeyXMBVETKITPQOPR-UHFFFAOYSA-N
XLogP2.37
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide
CID 136547748
N,N-dimethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 115300830
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
CID 82684600
N-methyl-N-(1-methylbenzimidazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 154736677
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121054075
6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109116837
[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 121193758
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
4-(benzimidazol-1-yl)-N-propylpiperidine-1-carbothioamide
CID 3219909

Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide (CID 166307167) is 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(n3cnc4ccccc43)CC2)nn1.
What is the InChIKey of 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide?
The InChIKey is XMBVETKITPQOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-23(2)19(26)16-7-8-18(22-21-16)24-11-9-14(10-12-24)25-13-20-15-5-3-4-6-17(15)25/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide?
6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide is sourced from PubChem (CID 166307167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).