6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C19H26N4O2 — CID 909894

IUPAC6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(N2CCN(C(C)=O)CC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H26N4O2/c1-5-17-16-12-25-19(3,4)10-14(16)15(11-20)18(21-17)23-8-6-22(7-9-23)13(2)24/h5-10,12H2,1-4H3
InChIKeyLIIFQOOLUMNBMU-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.04
Rot. Bonds2

About 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 909894) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID909894
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(N2CCN(C(C)=O)CC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H26N4O2/c1-5-17-16-12-25-19(3,4)10-14(16)15(11-20)18(21-17)23-8-6-22(7-9-23)13(2)24/h5-10,12H2,1-4H3
InChIKeyLIIFQOOLUMNBMU-UHFFFAOYSA-N
XLogP2.04
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 909894) is 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCc1nc(N2CCN(C(C)=O)CC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is LIIFQOOLUMNBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-17-16-12-25-19(3,4)10-14(16)15(11-20)18(21-17)23-8-6-22(7-9-23)13(2)24/h5-10,12H2,1-4H3.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 342.44 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 909894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).