N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

C23H20N2O4 — CID 42376329

IUPACN-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)c1ccc3c(c1)OCO3)C2
InChIInChI=1S/C23H20N2O4/c1-14-4-3-9-24-21(14)18-6-2-5-15-10-17(29-22(15)18)12-25-23(26)16-7-8-19-20(11-16)28-13-27-19/h2-9,11,17H,10,12-13H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyKODFDMAGZYOROP-QGZVFWFLSA-N
MW388.42 g/mol
LogP3.52
Rot. Bonds4

About N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42376329) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42376329
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)c1ccc3c(c1)OCO3)C2
InChIInChI=1S/C23H20N2O4/c1-14-4-3-9-24-21(14)18-6-2-5-15-10-17(29-22(15)18)12-25-23(26)16-7-8-19-20(11-16)28-13-27-19/h2-9,11,17H,10,12-13H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyKODFDMAGZYOROP-QGZVFWFLSA-N
XLogP3.52
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42326297
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 42171033
2,5-dimethyl-N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 45180483
N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42246567
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide
CID 45167343
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42484271
N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 26345598
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 45242894
N-[[(2R)-5-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42375967
(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42360420
1-(4-chlorophenyl)-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 42210154
N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 126463398

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 42376329) is N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)c1ccc3c(c1)OCO3)C2.
What is the InChIKey of N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is KODFDMAGZYOROP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-4-3-9-24-21(14)18-6-2-5-15-10-17(29-22(15)18)12-25-23(26)16-7-8-19-20(11-16)28-13-27-19/h2-9,11,17H,10,12-13H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42376329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).