6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide

C21H21N5O2 — CID 109126611

IUPAC6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C21H21N5O2/c27-21(18-10-11-20(25-24-18)22-16-6-2-1-3-7-16)23-17-8-4-5-9-19(17)26-12-14-28-15-13-26/h1-11H,12-15H2,(H,22,25)(H,23,27)
InChIKeyAPQCNVMMFZVSGX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.31
Rot. Bonds5

About 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide

6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109126611) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
PubChem CID109126611
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C21H21N5O2/c27-21(18-10-11-20(25-24-18)22-16-6-2-1-3-7-16)23-17-8-4-5-9-19(17)26-12-14-28-15-13-26/h1-11H,12-15H2,(H,22,25)(H,23,27)
InChIKeyAPQCNVMMFZVSGX-UHFFFAOYSA-N
XLogP3.31
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109128495
6-(N-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109127197
6-(2-morpholin-4-ylanilino)-N-propylpyridazine-3-carboxamide
CID 109109357
N-cyclopentyl-6-(2-morpholin-4-ylanilino)pyridazine-3-carboxamide
CID 109112411
6-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109124354
N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide
CID 109127275
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
5-(tert-butylamino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109195247
4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109219045
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide (CID 109126611) is 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc(Nc2ccccc2)nn1.
What is the InChIKey of 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is APQCNVMMFZVSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-21(18-10-11-20(25-24-18)22-16-6-2-1-3-7-16)23-17-8-4-5-9-19(17)26-12-14-28-15-13-26/h1-11H,12-15H2,(H,22,25)(H,23,27).
What are the key properties of 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide?
6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).