3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C21H30N4O3 — CID 136626057

IUPAC3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1cc(O)c(-c2ccc(NC3CC(C)(C)NC(C)(C)C3)nn2)c(OC)c1
InChIInChI=1S/C21H30N4O3/c1-20(2)11-13(12-21(3,4)25-20)22-18-8-7-15(23-24-18)19-16(26)9-14(27-5)10-17(19)28-6/h7-10,13,25-26H,11-12H2,1-6H3,(H,22,24)
InChIKeyRTCNIQPWINNBKW-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.59
Rot. Bonds5

About 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136626057) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136626057
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1cc(O)c(-c2ccc(NC3CC(C)(C)NC(C)(C)C3)nn2)c(OC)c1
InChIInChI=1S/C21H30N4O3/c1-20(2)11-13(12-21(3,4)25-20)22-18-8-7-15(23-24-18)19-16(26)9-14(27-5)10-17(19)28-6/h7-10,13,25-26H,11-12H2,1-6H3,(H,22,24)
InChIKeyRTCNIQPWINNBKW-UHFFFAOYSA-N
XLogP3.59
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136626057) is 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is COc1cc(O)c(-c2ccc(NC3CC(C)(C)NC(C)(C)C3)nn2)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is RTCNIQPWINNBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-20(2)11-13(12-21(3,4)25-20)22-18-8-7-15(23-24-18)19-16(26)9-14(27-5)10-17(19)28-6/h7-10,13,25-26H,11-12H2,1-6H3,(H,22,24).
What are the key properties of 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 386.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136626057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).