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

C24H19N3O3 — CID 59166214

IUPAC1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3[nH]ccc3c2)cn1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H19N3O3/c28-23(24(8-9-24)18-3-5-20-21(12-18)30-14-29-20)27-22-6-2-17(13-26-22)15-1-4-19-16(11-15)7-10-25-19/h1-7,10-13,25H,8-9,14H2,(H,26,27,28)
InChIKeyQXSVTBXYXCSXLS-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.63
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 59166214) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID59166214
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3[nH]ccc3c2)cn1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H19N3O3/c28-23(24(8-9-24)18-3-5-20-21(12-18)30-14-29-20)27-22-6-2-17(13-26-22)15-1-4-19-16(11-15)7-10-25-19/h1-7,10-13,25H,8-9,14H2,(H,26,27,28)
InChIKeyQXSVTBXYXCSXLS-UHFFFAOYSA-N
XLogP4.63
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159388844
1-(1,3-benzodioxol-5-yl)-N-[5-(4-methylsulfonylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 16678732
4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzamide;molecular hydrogen
CID 161257292
1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59272515
1-(1,3-benzodioxol-5-yl)-N-[5-[3-[dimethylamino(dihydroxy)-λ4-sulfanyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59272539
1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160769889
methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate
CID 170269909
1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 24763318
N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166054
1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158508400
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206227

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 59166214) is 1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-c2ccc3[nH]ccc3c2)cn1)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is QXSVTBXYXCSXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-23(24(8-9-24)18-3-5-20-21(12-18)30-14-29-20)27-22-6-2-17(13-26-22)15-1-4-19-16(11-15)7-10-25-19/h1-7,10-13,25H,8-9,14H2,(H,26,27,28).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59166214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).