3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide

C21H20FN3O2 — CID 5067063

IUPAC3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccnc2)c1C
InChIInChI=1S/C21H20FN3O2/c1-14-19(15(2)26)12-20(16-5-7-17(22)8-6-16)25(14)11-9-21(27)24-18-4-3-10-23-13-18/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,27)
InChIKeyVKSYAEJIXUOQDZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.23
Rot. Bonds6

About 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide

3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide (PubChem CID 5067063) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide
PubChem CID5067063
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccnc2)c1C
InChIInChI=1S/C21H20FN3O2/c1-14-19(15(2)26)12-20(16-5-7-17(22)8-6-16)25(14)11-9-21(27)24-18-4-3-10-23-13-18/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,27)
InChIKeyVKSYAEJIXUOQDZ-UHFFFAOYSA-N
XLogP4.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro CUMYL-PICA
CID 117650397
5-((2-Methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyridine-3-carboxamide
CID 24875320
MC1568
CID 11381449
1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one
CID 16219401
(2E)-N-hydroxy-3-(1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl)prop-2-enamide
CID 10379137
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 9038340
(3Z)-1,3-Dihydro-3-((1-methyl-1H-indol-3-yl)methylene)-2H-pyrrolo(3,2-b)pyridin-2-one
CID 9943465
(E)-3-(4-((E)-3-(3-fluorophenyl)-3-oxoprop-1-en-1-yl)-1-methyl-1H-pyrrol-2-yl)-N-hydroxyacrylamide
CID 71433510
(s)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1h-indole-3-carboxamide
CID 125181260
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
CID 5329109
2-fluoro-9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748525

Frequently Asked Questions

What is the IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide (CID 5067063) is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide is CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccnc2)c1C.
What is the InChIKey of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is VKSYAEJIXUOQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-19(15(2)26)12-20(16-5-7-17(22)8-6-16)25(14)11-9-21(27)24-18-4-3-10-23-13-18/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,27).
What are the key properties of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide?
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 365.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 5067063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).