N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide

C21H19N5O — CID 109124566

IUPACN-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H19N5O/c22-15-17-8-4-10-18(14-17)24-21(27)19-11-12-20(26-25-19)23-13-5-9-16-6-2-1-3-7-16/h1-4,6-8,10-12,14H,5,9,13H2,(H,23,26)(H,24,27)
InChIKeyGTQQLKVBEHATSC-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.65
Rot. Bonds7

About N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide

N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide (PubChem CID 109124566) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
PubChem CID109124566
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H19N5O/c22-15-17-8-4-10-18(14-17)24-21(27)19-11-12-20(26-25-19)23-13-5-9-16-6-2-1-3-7-16/h1-4,6-8,10-12,14H,5,9,13H2,(H,23,26)(H,24,27)
InChIKeyGTQQLKVBEHATSC-UHFFFAOYSA-N
XLogP3.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122382
methyl 3-[[6-(3-phenylpropylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109124556
4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109048503
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200693
N-(4-cyanophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353572
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005123
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide (CID 109124566) is N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide is N#Cc1cccc(NC(=O)c2ccc(NCCCc3ccccc3)nn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The InChIKey is GTQQLKVBEHATSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c22-15-17-8-4-10-18(14-17)24-21(27)19-11-12-20(26-25-19)23-13-5-9-16-6-2-1-3-7-16/h1-4,6-8,10-12,14H,5,9,13H2,(H,23,26)(H,24,27).
What are the key properties of N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109124566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).