6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide

C21H22N4O2 — CID 133313505

IUPAC6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCc1ccccc1OCCN(C)c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C21H22N4O2/c1-16-8-6-7-11-19(16)27-15-14-25(2)20-13-12-18(23-24-20)21(26)22-17-9-4-3-5-10-17/h3-13H,14-15H2,1-2H3,(H,22,26)
InChIKeyUZMWZNKGAILQBS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.55
Rot. Bonds7

About 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide

6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313505) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133313505
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCc1ccccc1OCCN(C)c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C21H22N4O2/c1-16-8-6-7-11-19(16)27-15-14-25(2)20-13-12-18(23-24-20)21(26)22-17-9-4-3-5-10-17/h3-13H,14-15H2,1-2H3,(H,22,26)
InChIKeyUZMWZNKGAILQBS-UHFFFAOYSA-N
XLogP3.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313290
N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]pyridin-2-amine
CID 133313504
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
2-anilino-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 119695619
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
6-[butyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109125613
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119002
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125615
N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide
CID 109128038

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide (CID 133313505) is 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide is Cc1ccccc1OCCN(C)c1ccc(C(=O)Nc2ccccc2)nn1.
What is the InChIKey of 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is UZMWZNKGAILQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16-8-6-7-11-19(16)27-15-14-25(2)20-13-12-18(23-24-20)21(26)22-17-9-4-3-5-10-17/h3-13H,14-15H2,1-2H3,(H,22,26).
What are the key properties of 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide?
6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).