N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide

C19H21FN4O — CID 71794387

IUPACN-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(c2ccc(-c3ccccc3F)nn2)C1)C1CCC1
InChIInChI=1S/C19H21FN4O/c20-16-7-2-1-6-15(16)17-8-9-18(23-22-17)24-11-10-14(12-24)21-19(25)13-4-3-5-13/h1-2,6-9,13-14H,3-5,10-12H2,(H,21,25)
InChIKeyFOGSKDYSYJCTRF-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.78
Rot. Bonds4

About N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide

N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 71794387) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID71794387
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(c2ccc(-c3ccccc3F)nn2)C1)C1CCC1
InChIInChI=1S/C19H21FN4O/c20-16-7-2-1-6-15(16)17-8-9-18(23-22-17)24-11-10-14(12-24)21-19(25)13-4-3-5-13/h1-2,6-9,13-14H,3-5,10-12H2,(H,21,25)
InChIKeyFOGSKDYSYJCTRF-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide (CID 71794387) is N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide is O=C(NC1CCN(c2ccc(-c3ccccc3F)nn2)C1)C1CCC1.
What is the InChIKey of N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is FOGSKDYSYJCTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-16-7-2-1-6-15(16)17-8-9-18(23-22-17)24-11-10-14(12-24)21-19(25)13-4-3-5-13/h1-2,6-9,13-14H,3-5,10-12H2,(H,21,25).
What are the key properties of N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide?
N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 71794387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).