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

C23H19FN2O4 — CID 16679618

IUPAC1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1F
InChIInChI=1S/C23H19FN2O4/c1-28-18-6-2-4-15(21(18)24)16-5-3-7-20(25-16)26-22(27)23(10-11-23)14-8-9-17-19(12-14)30-13-29-17/h2-9,12H,10-11,13H2,1H3,(H,25,26,27)
InChIKeyOPEGOXISCUERAS-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.30
Rot. Bonds5

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

1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 16679618) 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-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID16679618
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1F
InChIInChI=1S/C23H19FN2O4/c1-28-18-6-2-4-15(21(18)24)16-5-3-7-20(25-16)26-22(27)23(10-11-23)14-8-9-17-19(12-14)30-13-29-17/h2-9,12H,10-11,13H2,1H3,(H,25,26,27)
InChIKeyOPEGOXISCUERAS-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-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 16679618) is 1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is COc1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1F.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is OPEGOXISCUERAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-28-18-6-2-4-15(21(18)24)16-5-3-7-20(25-16)26-22(27)23(10-11-23)14-8-9-17-19(12-14)30-13-29-17/h2-9,12H,10-11,13H2,1H3,(H,25,26,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[6-(2-fluoro-3-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-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 16679618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).