2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

C16H12FN3O — CID 24809691

IUPAC2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C16H12FN3O/c17-12-3-1-2-11(8-12)15-13(16(18)21)9-14(20-15)10-4-6-19-7-5-10/h1-9,20H,(H2,18,21)
InChIKeyDRQCVBMQNBRROV-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.98
Rot. Bonds3

About 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 24809691) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID24809691
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C16H12FN3O/c17-12-3-1-2-11(8-12)15-13(16(18)21)9-14(20-15)10-4-6-19-7-5-10/h1-9,20H,(H2,18,21)
InChIKeyDRQCVBMQNBRROV-UHFFFAOYSA-N
XLogP2.98
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
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CID 34864
3-(3-Dimethylaminopropionyl)indole
CID 32750
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
4-fluoro-N-(1H-indol-5-yl)benzamide
CID 2814506
3-(Trifluoroacetyl)indole
CID 589126
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (CID 24809691) is 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is DRQCVBMQNBRROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-12-3-1-2-11(8-12)15-13(16(18)21)9-14(20-15)10-4-6-19-7-5-10/h1-9,20H,(H2,18,21).
What are the key properties of 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).