6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide

C22H23N5O — CID 109117802

IUPAC6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C22H23N5O/c28-22(24-18-8-10-19(11-9-18)27-14-4-5-15-27)20-12-13-21(26-25-20)23-16-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-16H2,(H,23,26)(H,24,28)
InChIKeyWOWUFPXEDMAWMB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.94
Rot. Bonds6

About 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide

6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109117802) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
PubChem CID109117802
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C22H23N5O/c28-22(24-18-8-10-19(11-9-18)27-14-4-5-15-27)20-12-13-21(26-25-20)23-16-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-16H2,(H,23,26)(H,24,28)
InChIKeyWOWUFPXEDMAWMB-UHFFFAOYSA-N
XLogP3.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791
6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109117824
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 133313497
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109283745
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide (CID 109117802) is 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(NCc2ccccc2)nn1.
What is the InChIKey of 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is WOWUFPXEDMAWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(24-18-8-10-19(11-9-18)27-14-4-5-15-27)20-12-13-21(26-25-20)23-16-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-16H2,(H,23,26)(H,24,28).
What are the key properties of 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).