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

C22H16F2N2O3 — CID 16678518

IUPAC1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(-c2cc(F)ccc2F)n1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H16F2N2O3/c23-14-5-6-16(24)15(11-14)17-2-1-3-20(25-17)26-21(27)22(8-9-22)13-4-7-18-19(10-13)29-12-28-18/h1-7,10-11H,8-9,12H2,(H,25,26,27)
InChIKeyNWNHFDFRPPXHKX-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.43
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 16678518) has the molecular formula C22H16F2N2O3 and a molecular weight of 394.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID16678518
Molecular FormulaC22H16F2N2O3
Molecular Weight394.38 g/mol
Exact Mass394.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(-c2cc(F)ccc2F)n1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H16F2N2O3/c23-14-5-6-16(24)15(11-14)17-2-1-3-20(25-17)26-21(27)22(8-9-22)13-4-7-18-19(10-13)29-12-28-18/h1-7,10-11H,8-9,12H2,(H,25,26,27)
InChIKeyNWNHFDFRPPXHKX-UHFFFAOYSA-N
XLogP4.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 16678518) is 1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1cccc(-c2cc(F)ccc2F)n1)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is NWNHFDFRPPXHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3/c23-14-5-6-16(24)15(11-14)17-2-1-3-20(25-17)26-21(27)22(8-9-22)13-4-7-18-19(10-13)29-12-28-18/h1-7,10-11H,8-9,12H2,(H,25,26,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.43, 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-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 16678518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).