2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C16H16N4O2 — CID 56862232

IUPAC2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc3c2COCC3)cn1
InChIInChI=1S/C16H16N4O2/c1-2-22-14-4-3-10(8-19-14)15-11(7-17)16(18)20-13-5-6-21-9-12(13)15/h3-4,8H,2,5-6,9H2,1H3,(H2,18,20)
InChIKeyKDUFDWQKZMVENR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.07
Rot. Bonds3

About 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 56862232) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID56862232
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc3c2COCC3)cn1
InChIInChI=1S/C16H16N4O2/c1-2-22-14-4-3-10(8-19-14)15-11(7-17)16(18)20-13-5-6-21-9-12(13)15/h3-4,8H,2,5-6,9H2,1H3,(H2,18,20)
InChIKeyKDUFDWQKZMVENR-UHFFFAOYSA-N
XLogP2.07
TPSA94.05 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 56862232) is 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is CCOc1ccc(-c2c(C#N)c(N)nc3c2COCC3)cn1.
What is the InChIKey of 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is KDUFDWQKZMVENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-22-14-4-3-10(8-19-14)15-11(7-17)16(18)20-13-5-6-21-9-12(13)15/h3-4,8H,2,5-6,9H2,1H3,(H2,18,20).
What are the key properties of 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 56862232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).