6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile

C15H15N5O — CID 86772969

IUPAC6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
SMILESCCOc1ncnc2c1CN(c1ccc(C#N)cn1)CC2
InChIInChI=1S/C15H15N5O/c1-2-21-15-12-9-20(6-5-13(12)18-10-19-15)14-4-3-11(7-16)8-17-14/h3-4,8,10H,2,5-6,9H2,1H3
InChIKeyCLUPOBSNYBLLNT-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.70
Rot. Bonds3

About 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile

6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile (PubChem CID 86772969) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
PubChem CID86772969
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
SMILESCCOc1ncnc2c1CN(c1ccc(C#N)cn1)CC2
InChIInChI=1S/C15H15N5O/c1-2-21-15-12-9-20(6-5-13(12)18-10-19-15)14-4-3-11(7-16)8-17-14/h3-4,8,10H,2,5-6,9H2,1H3
InChIKeyCLUPOBSNYBLLNT-UHFFFAOYSA-N
XLogP1.70
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile (CID 86772969) is 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile is CCOc1ncnc2c1CN(c1ccc(C#N)cn1)CC2.
What is the InChIKey of 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
The InChIKey is CLUPOBSNYBLLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-21-15-12-9-20(6-5-13(12)18-10-19-15)14-4-3-11(7-16)8-17-14/h3-4,8,10H,2,5-6,9H2,1H3.
What are the key properties of 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 86772969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).