5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide

C18H16FN3O — CID 99636201

IUPAC5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)c1ccccn1
InChIInChI=1S/C18H16FN3O/c1-21-15(13-6-8-14(19)9-7-13)10-11-16(21)18(23)22(2)17-5-3-4-12-20-17/h3-12H,1-2H3
InChIKeyZJCAIUJWLCAFBI-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.50
Rot. Bonds3

About 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide

5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide (PubChem CID 99636201) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide
PubChem CID99636201
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)c1ccccn1
InChIInChI=1S/C18H16FN3O/c1-21-15(13-6-8-14(19)9-7-13)10-11-16(21)18(23)22(2)17-5-3-4-12-20-17/h3-12H,1-2H3
InChIKeyZJCAIUJWLCAFBI-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453391
2-Ethyl-13-[2-(3-fluorophenyl)ethyl]-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470738
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313
6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-3-carboxamide
CID 118341355
Piperazine, 1-((5-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453218
Phenylcarbonyl piperazine, 3
CID 2741589
N-(6-methylpyridin-2-yl)-6-phenylnicotinamide
CID 44157178
Pyrimidine-4-carboxamide, 60
CID 44520957
Pyrimidine-4-carboxamide, 62
CID 44520958
(3,5-Dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 912542
N-[(1,1-Dimethyl-propylcarbamoyl)-methyl]-N-(4-fluoro-phenyl)-6-pyrrolidin-1-yl-nicotinamide
CID 3207265
2-fluoro-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 4452339

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide (CID 99636201) is 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide is CN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)c1ccccn1.
What is the InChIKey of 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide?
The InChIKey is ZJCAIUJWLCAFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-21-15(13-6-8-14(19)9-7-13)10-11-16(21)18(23)22(2)17-5-3-4-12-20-17/h3-12H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide?
5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,1-dimethyl-N-pyridin-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 99636201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).