N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide

C18H21ClN4O2 — CID 109112915

IUPACN-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NC2CCCCC2)nn1
InChIInChI=1S/C18H21ClN4O2/c1-25-16-9-7-12(19)11-15(16)21-18(24)14-8-10-17(23-22-14)20-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,23)(H,21,24)
InChIKeySEUMMCFZHHFTQJ-UHFFFAOYSA-N
MW360.85 g/mol
LogP4.14
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide (PubChem CID 109112915) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide
PubChem CID109112915
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NC2CCCCC2)nn1
InChIInChI=1S/C18H21ClN4O2/c1-25-16-9-7-12(19)11-15(16)21-18(24)14-8-10-17(23-22-14)20-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,23)(H,21,24)
InChIKeySEUMMCFZHHFTQJ-UHFFFAOYSA-N
XLogP4.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109916
6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109112205
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029
N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
CID 109287599
N-(5-chloro-2-methoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122802
6-(cyclohexylamino)-N-(2,4-dichlorophenyl)pyridazine-3-carboxamide
CID 109112961
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095044
N-(5-chloro-2-methoxyphenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081455
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide (CID 109112915) is N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc(NC2CCCCC2)nn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide?
The InChIKey is SEUMMCFZHHFTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-16-9-7-12(19)11-15(16)21-18(24)14-8-10-17(23-22-14)20-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109112915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).