N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C17H20N4O — CID 71778492

IUPACN-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C17H20N4O/c1-20(13-14-7-3-2-4-8-14)17(22)15-9-10-16(19-18-15)21-11-5-6-12-21/h2-4,7-10H,5-6,11-13H2,1H3
InChIKeyORYDQOHCSITKRV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.35
Rot. Bonds4

About N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 71778492) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID71778492
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C17H20N4O/c1-20(13-14-7-3-2-4-8-14)17(22)15-9-10-16(19-18-15)21-11-5-6-12-21/h2-4,7-10H,5-6,11-13H2,1H3
InChIKeyORYDQOHCSITKRV-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027787
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
CID 109305153
6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109117118
N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide
CID 136547748
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
N-benzyl-6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 121028194
N-benzyl-1-(6-methoxypyridazin-3-yl)-N-methylpiperidine-3-carboxamide
CID 75490694
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
N-methyl-N-(1-methylbenzimidazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 154736677
6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109116837

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 71778492) is N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is ORYDQOHCSITKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20(13-14-7-3-2-4-8-14)17(22)15-9-10-16(19-18-15)21-11-5-6-12-21/h2-4,7-10H,5-6,11-13H2,1H3.
What are the key properties of N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).