1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

C23H19FN2O4 — CID 16679712

IUPAC1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1F
InChIInChI=1S/C23H19FN2O4/c1-28-18-7-5-14(11-16(18)24)17-3-2-4-21(25-17)26-22(27)23(9-10-23)15-6-8-19-20(12-15)30-13-29-19/h2-8,11-12H,9-10,13H2,1H3,(H,25,26,27)
InChIKeyWDWRRECYNQDVSD-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.30
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 16679712) 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-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID16679712
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1F
InChIInChI=1S/C23H19FN2O4/c1-28-18-7-5-14(11-16(18)24)17-3-2-4-21(25-17)26-22(27)23(9-10-23)15-6-8-19-20(12-15)30-13-29-19/h2-8,11-12H,9-10,13H2,1H3,(H,25,26,27)
InChIKeyWDWRRECYNQDVSD-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

Analyze 1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 16679712) is 1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is COc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1F.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is WDWRRECYNQDVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-28-18-7-5-14(11-16(18)24)17-3-2-4-21(25-17)26-22(27)23(9-10-23)15-6-8-19-20(12-15)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-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[6-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 16679712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).