2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine

C16H16N4O2 — CID 102443349

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESNCCn1c(-c2ccc3c(c2)OCCO3)nc2cccnc21
InChIInChI=1S/C16H16N4O2/c17-5-7-20-15(19-12-2-1-6-18-16(12)20)11-3-4-13-14(10-11)22-9-8-21-13/h1-4,6,10H,5,7-9,17H2
InChIKeyDTQNUCOPMUNYNU-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.83
Rot. Bonds3

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 102443349) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID102443349
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESNCCn1c(-c2ccc3c(c2)OCCO3)nc2cccnc21
InChIInChI=1S/C16H16N4O2/c17-5-7-20-15(19-12-2-1-6-18-16(12)20)11-3-4-13-14(10-11)22-9-8-21-13/h1-4,6,10H,5,7-9,17H2
InChIKeyDTQNUCOPMUNYNU-UHFFFAOYSA-N
XLogP1.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699
2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145913
2-[2-(1,3-benzodioxol-5-yl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 94750264
3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine
CID 118723490
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53004182
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol
CID 178174126
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866476
2-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanamine
CID 94749003
4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-6-(3-hydroxyphenyl)benzene-1,3-diol
CID 178174153
3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
CID 82149522
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)phenol
CID 63757136
2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166729

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 102443349) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine is NCCn1c(-c2ccc3c(c2)OCCO3)nc2cccnc21.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is DTQNUCOPMUNYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-5-7-20-15(19-12-2-1-6-18-16(12)20)11-3-4-13-14(10-11)22-9-8-21-13/h1-4,6,10H,5,7-9,17H2.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 296.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 102443349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).