6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide

C18H20N4O — CID 133380252

IUPAC6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CC23CCCc2ccccc23)nn1
InChIInChI=1S/C18H20N4O/c19-17(23)15-7-8-16(22-21-15)20-11-13-10-18(13)9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6-8,13H,3,5,9-11H2,(H2,19,23)(H,20,22)
InChIKeySYGOOHKSQUFOOY-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.28
Rot. Bonds4

About 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide

6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 133380252) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide
PubChem CID133380252
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CC23CCCc2ccccc23)nn1
InChIInChI=1S/C18H20N4O/c19-17(23)15-7-8-16(22-21-15)20-11-13-10-18(13)9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6-8,13H,3,5,9-11H2,(H2,19,23)(H,20,22)
InChIKeySYGOOHKSQUFOOY-UHFFFAOYSA-N
XLogP2.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide (CID 133380252) is 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide is NC(=O)c1ccc(NCC2CC23CCCc2ccccc23)nn1.
What is the InChIKey of 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is SYGOOHKSQUFOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-17(23)15-7-8-16(22-21-15)20-11-13-10-18(13)9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6-8,13H,3,5,9-11H2,(H2,19,23)(H,20,22).
What are the key properties of 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide?
6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 133380252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).