1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile

C17H14N2O3 — CID 82517528

IUPAC1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)OCCO3)n(C2CC2)c1=O
InChIInChI=1S/C17H14N2O3/c18-10-12-1-5-14(19(17(12)20)13-3-4-13)11-2-6-15-16(9-11)22-8-7-21-15/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyOFAGKVYSJLRSAK-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.49
Rot. Bonds2

About 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile

1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile (PubChem CID 82517528) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile
PubChem CID82517528
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)OCCO3)n(C2CC2)c1=O
InChIInChI=1S/C17H14N2O3/c18-10-12-1-5-14(19(17(12)20)13-3-4-13)11-2-6-15-16(9-11)22-8-7-21-15/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyOFAGKVYSJLRSAK-UHFFFAOYSA-N
XLogP2.49
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1-prop-2-ynylpyridine-3-carbonitrile
CID 82099267
6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile
CID 82146980
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82517559
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82099838
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzonitrile
CID 162515176
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluorobenzonitrile
CID 172650817
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrole-2-carboxylic acid
CID 82089762
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carbonitrile
CID 94962081
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile
CID 39434702
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,30-dicarbonitrile
CID 3956324
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile (CID 82517528) is 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile is N#Cc1ccc(-c2ccc3c(c2)OCCO3)n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile?
The InChIKey is OFAGKVYSJLRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c18-10-12-1-5-14(19(17(12)20)13-3-4-13)11-2-6-15-16(9-11)22-8-7-21-15/h1-2,5-6,9,13H,3-4,7-8H2.
What are the key properties of 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile?
1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile has a molecular weight of 294.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82517528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).