N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide

C19H17FN2O3 — CID 71784681

IUPACN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide
SMILESO=C(NCC(Cc1cccc(F)c1)n1cccc1)c1ccc(=O)oc1
InChIInChI=1S/C19H17FN2O3/c20-16-5-3-4-14(10-16)11-17(22-8-1-2-9-22)12-21-19(24)15-6-7-18(23)25-13-15/h1-10,13,17H,11-12H2,(H,21,24)
InChIKeyJYPUMLPLSXIGAV-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.79
Rot. Bonds6

About N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide

N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide (PubChem CID 71784681) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide
PubChem CID71784681
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide
SMILESO=C(NCC(Cc1cccc(F)c1)n1cccc1)c1ccc(=O)oc1
InChIInChI=1S/C19H17FN2O3/c20-16-5-3-4-14(10-16)11-17(22-8-1-2-9-22)12-21-19(24)15-6-7-18(23)25-13-15/h1-10,13,17H,11-12H2,(H,21,24)
InChIKeyJYPUMLPLSXIGAV-UHFFFAOYSA-N
XLogP2.79
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71784674
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 97039368
N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]furan-2-carboxamide
CID 71784623
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039440
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039441
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 97039381
2-fluoro-N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71784593
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97039442
N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103612084
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 95876220
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide (CID 71784681) is N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide is O=C(NCC(Cc1cccc(F)c1)n1cccc1)c1ccc(=O)oc1.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide?
The InChIKey is JYPUMLPLSXIGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-16-5-3-4-14(10-16)11-17(22-8-1-2-9-22)12-21-19(24)15-6-7-18(23)25-13-15/h1-10,13,17H,11-12H2,(H,21,24).
What are the key properties of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide?
N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 71784681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).