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

C17H11F2N3O2 — CID 118959076

IUPAC4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(C(=O)c2c(F)cccc2F)c[nH]1
InChIInChI=1S/C17H11F2N3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24)
InChIKeyNWOBRTKSIRTTBB-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.17
Rot. Bonds4

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

4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 118959076) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID118959076
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(C(=O)c2c(F)cccc2F)c[nH]1
InChIInChI=1S/C17H11F2N3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24)
InChIKeyNWOBRTKSIRTTBB-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

2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
N-Ethyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 41500
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
(3Z)-5-fluoro-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indol-2-one
CID 5331099
2-(3-Fluoropyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 11630374
Pha-767491
CID 11715767
Pyrrolopyridine, 9
CID 16719862
Pyrrolopyridine, 24
CID 16720095

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide (CID 118959076) is 4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide is O=C(Nc1ccncc1)c1cc(C(=O)c2c(F)cccc2F)c[nH]1.
What is the InChIKey of 4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is NWOBRTKSIRTTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24).
What are the key properties of 4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
4-(2,6-difluorobenzoyl)-N-pyridin-4-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-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118959076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).