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

C23H19FN2O3 — CID 59205978

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(F)nc1
InChIInChI=1S/C23H19FN2O3/c1-14-2-5-17(11-18(14)15-3-7-21(24)25-12-15)26-22(27)23(8-9-23)16-4-6-19-20(10-16)29-13-28-19/h2-7,10-12H,8-9,13H2,1H3,(H,26,27)
InChIKeySYQRFBQNYVMXGH-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.60
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide (PubChem CID 59205978) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
PubChem CID59205978
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(F)nc1
InChIInChI=1S/C23H19FN2O3/c1-14-2-5-17(11-18(14)15-3-7-21(24)25-12-15)26-22(27)23(8-9-23)16-4-6-19-20(10-16)29-13-28-19/h2-7,10-12H,8-9,13H2,1H3,(H,26,27)
InChIKeySYQRFBQNYVMXGH-UHFFFAOYSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide (CID 59205978) is 1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(F)nc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The InChIKey is SYQRFBQNYVMXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-14-2-5-17(11-18(14)15-3-7-21(24)25-12-15)26-22(27)23(8-9-23)16-4-6-19-20(10-16)29-13-28-19/h2-7,10-12H,8-9,13H2,1H3,(H,26,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3-(6-fluoro-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59205978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).