5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide

C19H19FN2O2 — CID 172878979

IUPAC5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESCCC(NC(=O)C1C2Oc3ccc(F)cc3C21)c1ccc(C)nc1
InChIInChI=1S/C19H19FN2O2/c1-3-14(11-5-4-10(2)21-9-11)22-19(23)17-16-13-8-12(20)6-7-15(13)24-18(16)17/h4-9,14,16-18H,3H2,1-2H3,(H,22,23)
InChIKeyFRVKROLFHSCYOS-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.27
Rot. Bonds4

About 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide

5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (PubChem CID 172878979) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
PubChem CID172878979
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESCCC(NC(=O)C1C2Oc3ccc(F)cc3C21)c1ccc(C)nc1
InChIInChI=1S/C19H19FN2O2/c1-3-14(11-5-4-10(2)21-9-11)22-19(23)17-16-13-8-12(20)6-7-15(13)24-18(16)17/h4-9,14,16-18H,3H2,1-2H3,(H,22,23)
InChIKeyFRVKROLFHSCYOS-UHFFFAOYSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (CID 172878979) is 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is CCC(NC(=O)C1C2Oc3ccc(F)cc3C21)c1ccc(C)nc1.
What is the InChIKey of 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The InChIKey is FRVKROLFHSCYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-14(11-5-4-10(2)21-9-11)22-19(23)17-16-13-8-12(20)6-7-15(13)24-18(16)17/h4-9,14,16-18H,3H2,1-2H3,(H,22,23).
What are the key properties of 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(6-methyl-3-pyridinyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is sourced from PubChem (CID 172878979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).