1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide

C18H16FN3O2 — CID 71936977

IUPAC1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncccc2O)c(C)n1-c1ccccc1F
InChIInChI=1S/C18H16FN3O2/c1-11-10-13(18(24)21-17-16(23)8-5-9-20-17)12(2)22(11)15-7-4-3-6-14(15)19/h3-10,23H,1-2H3,(H,20,21,24)
InChIKeyIVLCZBFIZHRRJJ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide

1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 71936977) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID71936977
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncccc2O)c(C)n1-c1ccccc1F
InChIInChI=1S/C18H16FN3O2/c1-11-10-13(18(24)21-17-16(23)8-5-9-20-17)12(2)22(11)15-7-4-3-6-14(15)19/h3-10,23H,1-2H3,(H,20,21,24)
InChIKeyIVLCZBFIZHRRJJ-UHFFFAOYSA-N
XLogP3.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide (CID 71936977) is 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ncccc2O)c(C)n1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is IVLCZBFIZHRRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-10-13(18(24)21-17-16(23)8-5-9-20-17)12(2)22(11)15-7-4-3-6-14(15)19/h3-10,23H,1-2H3,(H,20,21,24).
What are the key properties of 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide?
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 71936977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).