N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide

C21H21N5O2 — CID 6457766

IUPACN-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCOCC3)nn2)cc1)c1ccccc1
InChIInChI=1S/C21H21N5O2/c27-21(16-4-2-1-3-5-16)23-18-8-6-17(7-9-18)22-19-10-11-20(25-24-19)26-12-14-28-15-13-26/h1-11H,12-15H2,(H,22,24)(H,23,27)
InChIKeyRBWDHRZAQHNZKA-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.31
Rot. Bonds5

About N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide

N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (PubChem CID 6457766) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
PubChem CID6457766
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCOCC3)nn2)cc1)c1ccccc1
InChIInChI=1S/C21H21N5O2/c27-21(16-4-2-1-3-5-16)23-18-8-6-17(7-9-18)22-19-10-11-20(25-24-19)26-12-14-28-15-13-26/h1-11H,12-15H2,(H,22,24)(H,23,27)
InChIKeyRBWDHRZAQHNZKA-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

N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50776985
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
N-(6-morpholin-4-ylpyridazin-3-yl)-3,3-diphenylpropanamide
CID 113039669
N-(4-carbamoylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028121
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
CID 113049793

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (CID 6457766) is N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is O=C(Nc1ccc(Nc2ccc(N3CCOCC3)nn2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The InChIKey is RBWDHRZAQHNZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-21(16-4-2-1-3-5-16)23-18-8-6-17(7-9-18)22-19-10-11-20(25-24-19)26-12-14-28-15-13-26/h1-11H,12-15H2,(H,22,24)(H,23,27).
What are the key properties of N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide 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 N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 6457766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).