1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide

C24H19N3O3 — CID 59129476

IUPAC1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(-c3ccccn3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H19N3O3/c28-23(24(8-9-24)16-4-7-21-22(13-16)30-14-29-21)26-17-5-6-18-15(11-17)12-20(27-18)19-3-1-2-10-25-19/h1-7,10-13,27H,8-9,14H2,(H,26,28)
InChIKeyKRKSIHWBGIYFFY-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.63
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide (PubChem CID 59129476) 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-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide
PubChem CID59129476
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(-c3ccccn3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H19N3O3/c28-23(24(8-9-24)16-4-7-21-22(13-16)30-14-29-21)26-17-5-6-18-15(11-17)12-20(27-18)19-3-1-2-10-25-19/h1-7,10-13,27H,8-9,14H2,(H,26,28)
InChIKeyKRKSIHWBGIYFFY-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-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 59129162
1-(1,3-benzodioxol-5-yl)-N-[2-[dimethylamino(hydroxy)methyl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 130193818
ethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 16752708
[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamic acid
CID 67043946
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59129474
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(methylideneamino)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59636915
N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159372797
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-3-nitroso-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 59129407
tert-butyl N-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-N-(2-methylpropyl)carbamate
CID 67044081
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide (CID 59129476) is 1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ccc2[nH]c(-c3ccccn3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is KRKSIHWBGIYFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-23(24(8-9-24)16-4-7-21-22(13-16)30-14-29-21)26-17-5-6-18-15(11-17)12-20(27-18)19-3-1-2-10-25-19/h1-7,10-13,27H,8-9,14H2,(H,26,28).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)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-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59129476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).