6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide

C21H28N4O3 — CID 109124661

IUPAC6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(NC3CCCCCC3)nn2)cc1
InChIInChI=1S/C21H28N4O3/c1-27-17-8-10-18(11-9-17)28-15-14-22-21(26)19-12-13-20(25-24-19)23-16-6-4-2-3-5-7-16/h8-13,16H,2-7,14-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyUFGWLLWVRICPTN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.43
Rot. Bonds8

About 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide

6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide (PubChem CID 109124661) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
PubChem CID109124661
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(NC3CCCCCC3)nn2)cc1
InChIInChI=1S/C21H28N4O3/c1-27-17-8-10-18(11-9-17)28-15-14-22-21(26)19-12-13-20(25-24-19)23-16-6-4-2-3-5-7-16/h8-13,16H,2-7,14-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyUFGWLLWVRICPTN-UHFFFAOYSA-N
XLogP3.43
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881
5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109271821
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
6-(cyclohexylamino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109112877
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109295590
6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124675
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121643

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide (CID 109124661) is 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide is COc1ccc(OCCNC(=O)c2ccc(NC3CCCCCC3)nn2)cc1.
What is the InChIKey of 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide?
The InChIKey is UFGWLLWVRICPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-17-8-10-18(11-9-17)28-15-14-22-21(26)19-12-13-20(25-24-19)23-16-6-4-2-3-5-7-16/h8-13,16H,2-7,14-15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide?
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109124661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).