4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide

C17H11F2N3O2 — CID 118959104

IUPAC4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(C(=O)c2c(F)cccc2F)c[nH]1
InChIInChI=1S/C17H11F2N3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24)
InChIKeyHUICPWGBGIIDPB-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.17
Rot. Bonds4

About 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide

4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide (PubChem CID 118959104) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
PubChem CID118959104
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(C(=O)c2c(F)cccc2F)c[nH]1
InChIInChI=1S/C17H11F2N3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24)
InChIKeyHUICPWGBGIIDPB-UHFFFAOYSA-N
XLogP3.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 134610564
4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 135135602
4-(2-bromo-6-fluorobenzoyl)-N-(6-fluoro-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 134610622
4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide
CID 118959157
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide
CID 134610472
4-(3,6-dichloro-2-fluorobenzoyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 134610326
4-(2-chloro-6-fluorobenzoyl)-N-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrole-2-carboxamide
CID 134610371
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
3,5-difluoro-4-hydrazinyl-N-pyridin-3-ylbenzamide
CID 55158095
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide (CID 118959104) is 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide is O=C(Nc1cccnc1)c1cc(C(=O)c2c(F)cccc2F)c[nH]1.
What is the InChIKey of 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
The InChIKey is HUICPWGBGIIDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24).
What are the key properties of 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide has a molecular weight of 327.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118959104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).