1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

C23H19FN2O4 — CID 16679133

IUPAC1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(F)cc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C23H19FN2O4/c1-28-18-8-6-15(24)12-16(18)17-3-2-4-21(25-17)26-22(27)23(9-10-23)14-5-7-19-20(11-14)30-13-29-19/h2-8,11-12H,9-10,13H2,1H3,(H,25,26,27)
InChIKeyARGONQQPJRNVOM-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.30
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 16679133) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID16679133
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(F)cc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C23H19FN2O4/c1-28-18-8-6-15(24)12-16(18)17-3-2-4-21(25-17)26-22(27)23(9-10-23)14-5-7-19-20(11-14)30-13-29-19/h2-8,11-12H,9-10,13H2,1H3,(H,25,26,27)
InChIKeyARGONQQPJRNVOM-UHFFFAOYSA-N
XLogP4.30
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 16679133) is 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is COc1ccc(F)cc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is ARGONQQPJRNVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-28-18-8-6-15(24)12-16(18)17-3-2-4-21(25-17)26-22(27)23(9-10-23)14-5-7-19-20(11-14)30-13-29-19/h2-8,11-12H,9-10,13H2,1H3,(H,25,26,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 16679133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).