5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid

C18H16N2O5 — CID 154867052

IUPAC5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)C2(c3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C18H16N2O5/c21-16(22)11-7-13(10-19-9-11)20-17(23)18(3-4-18)12-1-2-14-15(8-12)25-6-5-24-14/h1-2,7-10H,3-6H2,(H,20,23)(H,21,22)
InChIKeyQABJGVBIMKGRGB-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.22
Rot. Bonds4

About 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid

5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 154867052) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid
PubChem CID154867052
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)C2(c3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C18H16N2O5/c21-16(22)11-7-13(10-19-9-11)20-17(23)18(3-4-18)12-1-2-14-15(8-12)25-6-5-24-14/h1-2,7-10H,3-6H2,(H,20,23)(H,21,22)
InChIKeyQABJGVBIMKGRGB-UHFFFAOYSA-N
XLogP2.22
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

N-(3,5-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198788
4-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206722
methyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198757
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198749
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 31816680
N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 25332750
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
CID 113198710
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 113198650
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzoic acid
CID 59206059

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid (CID 154867052) is 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)C2(c3ccc4c(c3)OCCO4)CC2)c1.
What is the InChIKey of 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is QABJGVBIMKGRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-16(22)11-7-13(10-19-9-11)20-17(23)18(3-4-18)12-1-2-14-15(8-12)25-6-5-24-14/h1-2,7-10H,3-6H2,(H,20,23)(H,21,22).
What are the key properties of 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid?
5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 154867052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).