5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide

C20H18FN5O2 — CID 136613109

IUPAC5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2ccc(NC3(c4ccccn4)CC(F)C3)nn2)ccc1O
InChIInChI=1S/C20H18FN5O2/c21-13-10-20(11-13,17-3-1-2-8-23-17)24-18-7-5-15(25-26-18)12-4-6-16(27)14(9-12)19(22)28/h1-9,13,27H,10-11H2,(H2,22,28)(H,24,26)
InChIKeyIDIVYSACFSEYGL-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.78
Rot. Bonds5

About 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide

5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide (PubChem CID 136613109) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide
PubChem CID136613109
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2ccc(NC3(c4ccccn4)CC(F)C3)nn2)ccc1O
InChIInChI=1S/C20H18FN5O2/c21-13-10-20(11-13,17-3-1-2-8-23-17)24-18-7-5-15(25-26-18)12-4-6-16(27)14(9-12)19(22)28/h1-9,13,27H,10-11H2,(H2,22,28)(H,24,26)
InChIKeyIDIVYSACFSEYGL-UHFFFAOYSA-N
XLogP2.78
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide (CID 136613109) is 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide is NC(=O)c1cc(-c2ccc(NC3(c4ccccn4)CC(F)C3)nn2)ccc1O.
What is the InChIKey of 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide?
The InChIKey is IDIVYSACFSEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-13-10-20(11-13,17-3-1-2-8-23-17)24-18-7-5-15(25-26-18)12-4-6-16(27)14(9-12)19(22)28/h1-9,13,27H,10-11H2,(H2,22,28)(H,24,26).
What are the key properties of 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide?
5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide has a molecular weight of 379.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 136613109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).