N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide

C21H22N4O2 — CID 109111323

IUPACN-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)nn1
InChIInChI=1S/C21H22N4O2/c1-15(2)14-22-21(26)18-12-13-20(25-24-18)23-17-10-6-7-11-19(17)27-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyROOUWUGAIYTMEW-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.40
Rot. Bonds7

About N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide

N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide (PubChem CID 109111323) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide
PubChem CID109111323
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)nn1
InChIInChI=1S/C21H22N4O2/c1-15(2)14-22-21(26)18-12-13-20(25-24-18)23-17-10-6-7-11-19(17)27-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyROOUWUGAIYTMEW-UHFFFAOYSA-N
XLogP4.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpropyl)-6-(2-phenoxyanilino)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

N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109115485
6-anilino-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111240
N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109112427
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide
CID 108941713
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109118892
6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
CID 109125507
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122427
6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125333
6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111313

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide (CID 109111323) is N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide is CC(C)CNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)nn1.
What is the InChIKey of N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
The InChIKey is ROOUWUGAIYTMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(2)14-22-21(26)18-12-13-20(25-24-18)23-17-10-6-7-11-19(17)27-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).