4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide

C17H20ClN5O2 — CID 113040044

IUPAC4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCN2CCOCC2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN5O2/c18-14-3-1-13(2-4-14)17(24)20-16-6-5-15(21-22-16)19-7-8-23-9-11-25-12-10-23/h1-6H,7-12H2,(H,19,21)(H,20,22,24)
InChIKeyLCFLCXXECVATCO-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.13
Rot. Bonds6

About 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide

4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide (PubChem CID 113040044) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide
PubChem CID113040044
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCN2CCOCC2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN5O2/c18-14-3-1-13(2-4-14)17(24)20-16-6-5-15(21-22-16)19-7-8-23-9-11-25-12-10-23/h1-6H,7-12H2,(H,19,21)(H,20,22,24)
InChIKeyLCFLCXXECVATCO-UHFFFAOYSA-N
XLogP2.13
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115633
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
N-(2,4-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154085
N-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115507
2-(4-fluorophenyl)-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]acetamide
CID 113040035
N-(2,6-difluorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154096
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
2-(4-methoxyphenyl)-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]acetamide
CID 113040037
N-(3-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115615
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109111166
4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide (CID 113040044) is 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCCN2CCOCC2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide?
The InChIKey is LCFLCXXECVATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c18-14-3-1-13(2-4-14)17(24)20-16-6-5-15(21-22-16)19-7-8-23-9-11-25-12-10-23/h1-6H,7-12H2,(H,19,21)(H,20,22,24).
What are the key properties of 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide?
4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide has a molecular weight of 361.83 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113040044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).