5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide

C22H21N3O3 — CID 123137704

IUPAC5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide
SMILESCNC(=O)c1nn(CC2c3ccccc3CCc3ccccc32)cc(O)c1=O
InChIInChI=1S/C22H21N3O3/c1-23-22(28)20-21(27)19(26)13-25(24-20)12-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,13,18,26H,10-12H2,1H3,(H,23,28)
InChIKeyPMSPQCDDFJNLKG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.24
Rot. Bonds3

About 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide

5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide (PubChem CID 123137704) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide
PubChem CID123137704
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide
SMILESCNC(=O)c1nn(CC2c3ccccc3CCc3ccccc32)cc(O)c1=O
InChIInChI=1S/C22H21N3O3/c1-23-22(28)20-21(27)19(26)13-25(24-20)12-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,13,18,26H,10-12H2,1H3,(H,23,28)
InChIKeyPMSPQCDDFJNLKG-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide (CID 123137704) is 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide is CNC(=O)c1nn(CC2c3ccccc3CCc3ccccc32)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide?
The InChIKey is PMSPQCDDFJNLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-23-22(28)20-21(27)19(26)13-25(24-20)12-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,13,18,26H,10-12H2,1H3,(H,23,28).
What are the key properties of 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide?
5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 123137704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).