6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide

C18H22N4O3 — CID 109112205

IUPAC6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NC3CCCC3)nn2)c1
InChIInChI=1S/C18H22N4O3/c1-24-13-7-9-16(25-2)15(11-13)20-18(23)14-8-10-17(22-21-14)19-12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYDMXJHRKOCYFJZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.10
Rot. Bonds6

About 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide

6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109112205) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109112205
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NC3CCCC3)nn2)c1
InChIInChI=1S/C18H22N4O3/c1-24-13-7-9-16(25-2)15(11-13)20-18(23)14-8-10-17(22-21-14)19-12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYDMXJHRKOCYFJZ-UHFFFAOYSA-N
XLogP3.10
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112915
N-(5-chloro-2-methoxyphenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109916
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
N-(2,5-dimethoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509292
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
N-(5-chloro-2-methoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122802
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851799
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124661

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide (CID 109112205) is 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(NC3CCCC3)nn2)c1.
What is the InChIKey of 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is YDMXJHRKOCYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-13-7-9-16(25-2)15(11-13)20-18(23)14-8-10-17(22-21-14)19-12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109112205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).