5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C21H20N2O3 — CID 681612

IUPAC5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C21H20N2O3/c24-21(23-13-15-3-2-10-22-12-15)20-9-8-19(26-20)14-25-18-7-6-16-4-1-5-17(16)11-18/h2-3,6-12H,1,4-5,13-14H2,(H,23,24)
InChIKeyZNDMXWACGLNQAS-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.67
Rot. Bonds6

About 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 681612) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID681612
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C21H20N2O3/c24-21(23-13-15-3-2-10-22-12-15)20-9-8-19(26-20)14-25-18-7-6-16-4-1-5-17(16)11-18/h2-3,6-12H,1,4-5,13-14H2,(H,23,24)
InChIKeyZNDMXWACGLNQAS-UHFFFAOYSA-N
XLogP3.67
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-propylphenoxy)methyl]-N'-(3-pyridinylmethylene)-2-furohydrazide
CID 6874482
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 135581547
N-{3-[2-(3,4-Dimethyl-phenoxy)-acetylamino]-propyl}-nicotinamide
CID 6490918
5-((2-Chlorophenoxy)methyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 717071
5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 1091781
5-[(naphthalen-1-yloxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinylmethyl)-2-furamide
CID 5210485
3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 975422
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-phenethyl-carbamoyl]-methyl}-amide
CID 650641
5-ethyl-3-methyl-N-(4-pyridinylmethyl)-1-benzofuran-2-carboxamide
CID 852715
5-[(2-bromophenoxy)methyl]-N-(3-pyridinylmethyl)-2-furamide
CID 1269632
5-(phenoxymethyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 2524890

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 681612) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cccnc1)c1ccc(COc2ccc3c(c2)CCC3)o1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is ZNDMXWACGLNQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-21(23-13-15-3-2-10-22-12-15)20-9-8-19(26-20)14-25-18-7-6-16-4-1-5-17(16)11-18/h2-3,6-12H,1,4-5,13-14H2,(H,23,24).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 681612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).