6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide

C15H21ClN4O2 — CID 133341301

IUPAC6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide
SMILESCCOC1CC(Nc2nnc(Cl)cc2C(N)=O)C12CCCC2
InChIInChI=1S/C15H21ClN4O2/c1-2-22-11-8-10(15(11)5-3-4-6-15)18-14-9(13(17)21)7-12(16)19-20-14/h7,10-11H,2-6,8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyLMRFOXDMVCPBNW-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.38
Rot. Bonds5

About 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide

6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide (PubChem CID 133341301) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide
PubChem CID133341301
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide
SMILESCCOC1CC(Nc2nnc(Cl)cc2C(N)=O)C12CCCC2
InChIInChI=1S/C15H21ClN4O2/c1-2-22-11-8-10(15(11)5-3-4-6-15)18-14-9(13(17)21)7-12(16)19-20-14/h7,10-11H,2-6,8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyLMRFOXDMVCPBNW-UHFFFAOYSA-N
XLogP2.38
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
CID 107679311
5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
CID 95782529
N-(2,5-dichloro-4-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 104726184
6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide
CID 133341407
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine
CID 133353747
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(5-bromo-2-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169393
N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
CID 65167993

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide (CID 133341301) is 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide is CCOC1CC(Nc2nnc(Cl)cc2C(N)=O)C12CCCC2.
What is the InChIKey of 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide?
The InChIKey is LMRFOXDMVCPBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-2-22-11-8-10(15(11)5-3-4-6-15)18-14-9(13(17)21)7-12(16)19-20-14/h7,10-11H,2-6,8H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide?
6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133341301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).