N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

C19H18FN5O — CID 71794383

IUPACN-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccc[nH]1
InChIInChI=1S/C19H18FN5O/c20-15-5-2-1-4-14(15)16-7-8-18(24-23-16)25-11-9-13(12-25)22-19(26)17-6-3-10-21-17/h1-8,10,13,21H,9,11-12H2,(H,22,26)
InChIKeyPNRBVODWSGWPBT-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.62
Rot. Bonds4

About N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 71794383) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID71794383
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC NameN-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccc[nH]1
InChIInChI=1S/C19H18FN5O/c20-15-5-2-1-4-14(15)16-7-8-18(24-23-16)25-11-9-13(12-25)22-19(26)17-6-3-10-21-17/h1-8,10,13,21H,9,11-12H2,(H,22,26)
InChIKeyPNRBVODWSGWPBT-UHFFFAOYSA-N
XLogP2.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
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]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (CID 71794383) is N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide is O=C(NC1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccc[nH]1.
What is the InChIKey of N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is PNRBVODWSGWPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-15-5-2-1-4-14(15)16-7-8-18(24-23-16)25-11-9-13(12-25)22-19(26)17-6-3-10-21-17/h1-8,10,13,21H,9,11-12H2,(H,22,26).
What are the key properties of N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
N-[1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 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]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71794383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).