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

C21H21FN2O3 — CID 172879002

IUPACN-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESCCOc1ccc(C2(NC(=O)C3C4Oc5ccc(F)cc5C43)CCC2)cn1
InChIInChI=1S/C21H21FN2O3/c1-2-26-16-7-4-12(11-23-16)21(8-3-9-21)24-20(25)18-17-14-10-13(22)5-6-15(14)27-19(17)18/h4-7,10-11,17-19H,2-3,8-9H2,1H3,(H,24,25)
InChIKeyICYAATCXWALNPS-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.29
Rot. Bonds5

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

N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (PubChem CID 172879002) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
PubChem CID172879002
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESCCOc1ccc(C2(NC(=O)C3C4Oc5ccc(F)cc5C43)CCC2)cn1
InChIInChI=1S/C21H21FN2O3/c1-2-26-16-7-4-12(11-23-16)21(8-3-9-21)24-20(25)18-17-14-10-13(22)5-6-15(14)27-19(17)18/h4-7,10-11,17-19H,2-3,8-9H2,1H3,(H,24,25)
InChIKeyICYAATCXWALNPS-UHFFFAOYSA-N
XLogP3.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The IUPAC name of N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (CID 172879002) is N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.
What is the SMILES notation for N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The canonical SMILES for N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is CCOc1ccc(C2(NC(=O)C3C4Oc5ccc(F)cc5C43)CCC2)cn1.
What is the InChIKey of N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The InChIKey is ICYAATCXWALNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-2-26-16-7-4-12(11-23-16)21(8-3-9-21)24-20(25)18-17-14-10-13(22)5-6-15(14)27-19(17)18/h4-7,10-11,17-19H,2-3,8-9H2,1H3,(H,24,25).
What are the key properties of N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethoxy-3-pyridinyl)cyclobutyl]-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is sourced from PubChem (CID 172879002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).