N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide

C20H17N5O — CID 113051334

IUPACN-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)nn2)cc1
InChIInChI=1S/C20H17N5O/c21-14-16-6-9-17(10-7-16)22-18-11-12-19(25-24-18)23-20(26)13-8-15-4-2-1-3-5-15/h1-7,9-12H,8,13H2,(H,22,24)(H,23,25,26)
InChIKeyJTDICIFUIPPXJV-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.66
Rot. Bonds6

About N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide

N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide (PubChem CID 113051334) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide
PubChem CID113051334
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)nn2)cc1
InChIInChI=1S/C20H17N5O/c21-14-16-6-9-17(10-7-16)22-18-11-12-19(25-24-18)23-20(26)13-8-15-4-2-1-3-5-15/h1-7,9-12H,8,13H2,(H,22,24)(H,23,25,26)
InChIKeyJTDICIFUIPPXJV-UHFFFAOYSA-N
XLogP3.66
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide 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

N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
CID 113051393
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113051329
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051558
N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
CID 113037072
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593
4-tert-butyl-N-[6-(4-cyanoanilino)pyridazin-3-yl]benzamide
CID 113051326
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
3-phenylpropyl 5-(4-cyanoanilino)-5-oxopentanoate
CID 4923695
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide (CID 113051334) is N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide is N#Cc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)nn2)cc1.
What is the InChIKey of N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide?
The InChIKey is JTDICIFUIPPXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-14-16-6-9-17(10-7-16)22-18-11-12-19(25-24-18)23-20(26)13-8-15-4-2-1-3-5-15/h1-7,9-12H,8,13H2,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide?
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide has a molecular weight of 343.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 113051334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).