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

C18H19ClN4O — CID 133380262

IUPAC6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NCC1CC12CCCc1ccccc12
InChIInChI=1S/C18H19ClN4O/c19-15-8-13(16(20)24)17(23-22-15)21-10-12-9-18(12)7-3-5-11-4-1-2-6-14(11)18/h1-2,4,6,8,12H,3,5,7,9-10H2,(H2,20,24)(H,21,23)
InChIKeyTWHJIPHFVBXIAK-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.93
Rot. Bonds4

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

6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide (PubChem CID 133380262) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide
PubChem CID133380262
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NCC1CC12CCCc1ccccc12
InChIInChI=1S/C18H19ClN4O/c19-15-8-13(16(20)24)17(23-22-15)21-10-12-9-18(12)7-3-5-11-4-1-2-6-14(11)18/h1-2,4,6,8,12H,3,5,7,9-10H2,(H2,20,24)(H,21,23)
InChIKeyTWHJIPHFVBXIAK-UHFFFAOYSA-N
XLogP2.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide (CID 133380262) is 6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide is NC(=O)c1cc(Cl)nnc1NCC1CC12CCCc1ccccc12.
What is the InChIKey of 6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide?
The InChIKey is TWHJIPHFVBXIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-15-8-13(16(20)24)17(23-22-15)21-10-12-9-18(12)7-3-5-11-4-1-2-6-14(11)18/h1-2,4,6,8,12H,3,5,7,9-10H2,(H2,20,24)(H,21,23).
What are the key properties of 6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide?
6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyridazine-4-carboxamide is sourced from PubChem (CID 133380262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).