N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide

C17H14FN3O — CID 100626605

IUPACN-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cc(-n3cccc3)ccc2F)c1
InChIInChI=1S/C17H14FN3O/c1-12-8-13(11-19-10-12)17(22)20-16-9-14(4-5-15(16)18)21-6-2-3-7-21/h2-11H,1H3,(H,20,22)
InChIKeyRYFTWZBKUIWIEK-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.57
Rot. Bonds3

About N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide

N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide (PubChem CID 100626605) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide
PubChem CID100626605
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cc(-n3cccc3)ccc2F)c1
InChIInChI=1S/C17H14FN3O/c1-12-8-13(11-19-10-12)17(22)20-16-9-14(4-5-15(16)18)21-6-2-3-7-21/h2-11H,1H3,(H,20,22)
InChIKeyRYFTWZBKUIWIEK-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-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

Related Compounds

N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
CID 110744355
5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 26881964
(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95290074
N-(4-hydroxy-2,5-dimethylphenyl)-5-methylpyridine-3-carboxamide
CID 106834683
2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide
CID 86791147
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 110361821
N-(2,5-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864589
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
N-(2-fluoro-5-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110362254
3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010393
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide (CID 100626605) is N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cc(-n3cccc3)ccc2F)c1.
What is the InChIKey of N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide?
The InChIKey is RYFTWZBKUIWIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-12-8-13(11-19-10-12)17(22)20-16-9-14(4-5-15(16)18)21-6-2-3-7-21/h2-11H,1H3,(H,20,22).
What are the key properties of N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide?
N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 100626605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).