N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

C21H20N4O2 — CID 109110344

IUPACN-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C21H20N4O2/c1-2-14-22-20-13-12-19(24-25-20)21(26)23-17-8-10-18(11-9-17)27-15-16-6-4-3-5-7-16/h2-13H,1,14-15H2,(H,22,25)(H,23,26)
InChIKeyMTIAZOPFIGWYKT-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.91
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110344) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110344
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C21H20N4O2/c1-2-14-22-20-13-12-19(24-25-20)21(26)23-17-8-10-18(11-9-17)27-15-16-6-4-3-5-7-16/h2-13H,1,14-15H2,(H,22,25)(H,23,26)
InChIKeyMTIAZOPFIGWYKT-UHFFFAOYSA-N
XLogP3.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide 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

6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110345
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109575
5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109195683
N-(1,3-benzodioxol-5-yl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110351
N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide
CID 109111692
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110344) is N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nn1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is MTIAZOPFIGWYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-14-22-20-13-12-19(24-25-20)21(26)23-17-8-10-18(11-9-17)27-15-16-6-4-3-5-7-16/h2-13H,1,14-15H2,(H,22,25)(H,23,26).
What are the key properties of N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).