6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide

C18H28N4O2 — CID 97317791

IUPAC6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(N(C)C)nn2)C12CCCC2
InChIInChI=1S/C18H28N4O2/c1-5-24-15-12-14(18(15)10-6-7-11-18)22(4)17(23)13-8-9-16(20-19-13)21(2)3/h8-9,14-15H,5-7,10-12H2,1-4H3/t14-,15+/m1/s1
InChIKeyPWOCDHFYIXPTDD-CABCVRRESA-N
MW332.45 g/mol
LogP2.35
Rot. Bonds5

About 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide

6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 97317791) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID97317791
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(N(C)C)nn2)C12CCCC2
InChIInChI=1S/C18H28N4O2/c1-5-24-15-12-14(18(15)10-6-7-11-18)22(4)17(23)13-8-9-16(20-19-13)21(2)3/h8-9,14-15H,5-7,10-12H2,1-4H3/t14-,15+/m1/s1
InChIKeyPWOCDHFYIXPTDD-CABCVRRESA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide
CID 124683871
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124684050
4,5-dichloro-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-1H-pyrrole-2-carboxamide
CID 99810417
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
3-chloro-2-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-N-methylpyridine-2,5-dicarboxamide
CID 97100622
(2S)-2-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylpropanamide;hydrochloride
CID 119333090
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186359
N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 99810319
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99621396
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99621399
N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-fluoro-N-methyl-4-nitrobenzamide
CID 99810996
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N-methyl-2-(methylamino)acetamide
CID 120705060

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide (CID 97317791) is 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide is CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(N(C)C)nn2)C12CCCC2.
What is the InChIKey of 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is PWOCDHFYIXPTDD-CABCVRRESA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-24-15-12-14(18(15)10-6-7-11-18)22(4)17(23)13-8-9-16(20-19-13)21(2)3/h8-9,14-15H,5-7,10-12H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide?
6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 97317791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).