5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide

C17H14FN3O — CID 24809763

IUPAC5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccccc1-c1[nH]c(-c2ccncc2F)cc1C(N)=O
InChIInChI=1S/C17H14FN3O/c1-10-4-2-3-5-11(10)16-13(17(19)22)8-15(21-16)12-6-7-20-9-14(12)18/h2-9,21H,1H3,(H2,19,22)
InChIKeyOUFCRXVIETVOBW-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.29
Rot. Bonds3

About 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide

5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 24809763) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID24809763
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccccc1-c1[nH]c(-c2ccncc2F)cc1C(N)=O
InChIInChI=1S/C17H14FN3O/c1-10-4-2-3-5-11(10)16-13(17(19)22)8-15(21-16)12-6-7-20-9-14(12)18/h2-9,21H,1H3,(H2,19,22)
InChIKeyOUFCRXVIETVOBW-UHFFFAOYSA-N
XLogP3.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide (CID 24809763) is 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide is Cc1ccccc1-c1[nH]c(-c2ccncc2F)cc1C(N)=O.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is OUFCRXVIETVOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-10-4-2-3-5-11(10)16-13(17(19)22)8-15(21-16)12-6-7-20-9-14(12)18/h2-9,21H,1H3,(H2,19,22).
What are the key properties of 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide?
5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).