2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide

C8H8N2O3 — CID 144727603

IUPAC2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cnc2c(c1)OCCO2
InChIInChI=1S/C8H8N2O3/c9-7(11)5-3-6-8(10-4-5)13-2-1-12-6/h3-4H,1-2H2,(H2,9,11)
InChIKeyHFFWXRVWNUSLDH-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.05
Rot. Bonds1

About 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide

2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide (PubChem CID 144727603) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
PubChem CID144727603
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cnc2c(c1)OCCO2
InChIInChI=1S/C8H8N2O3/c9-7(11)5-3-6-8(10-4-5)13-2-1-12-6/h3-4H,1-2H2,(H2,9,11)
InChIKeyHFFWXRVWNUSLDH-UHFFFAOYSA-N
XLogP-0.05
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone
CID 66598503
3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide
CID 141418263
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 59199637
quinoline-3-carboxamide;hydrofluoride
CID 174911514
N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 139796630
7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 74788146
1,7-naphthyridine-3,6-dicarboxamide
CID 90953080
7-(1-chloroethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283740
2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxamide
CID 67383465
7-fluoroquinoline-3-carboxamide
CID 54200639
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide
CID 150792304

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide (CID 144727603) is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide is NC(=O)c1cnc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide?
The InChIKey is HFFWXRVWNUSLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-7(11)5-3-6-8(10-4-5)13-2-1-12-6/h3-4H,1-2H2,(H2,9,11).
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide?
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide has a molecular weight of 180.16 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 144727603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).