1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide

C20H20FN3O2 — CID 56799312

IUPAC1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cn1
InChIInChI=1S/C20H20FN3O2/c1-13-11-16(14(2)24(13)18-8-6-5-7-17(18)21)20(25)23(3)15-9-10-19(26-4)22-12-15/h5-12H,1-4H3
InChIKeyYWYZSGJTAIMKBX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.91
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide

1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 56799312) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide
PubChem CID56799312
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cn1
InChIInChI=1S/C20H20FN3O2/c1-13-11-16(14(2)24(13)18-8-6-5-7-17(18)21)20(25)23(3)15-9-10-19(26-4)22-12-15/h5-12H,1-4H3
InChIKeyYWYZSGJTAIMKBX-UHFFFAOYSA-N
XLogP3.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide (CID 56799312) is 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide is COc1ccc(N(C)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cn1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is YWYZSGJTAIMKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-11-16(14(2)24(13)18-8-6-5-7-17(18)21)20(25)23(3)15-9-10-19(26-4)22-12-15/h5-12H,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide?
1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-N,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 56799312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).