8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C22H26N4O3 — CID 3717771

IUPAC8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C22H26N4O3/c1-4-18-17-14-29-22(2,3)12-15(17)16(13-23)20(24-18)25-7-9-26(10-8-25)21(27)19-6-5-11-28-19/h5-6,11H,4,7-10,12,14H2,1-3H3
InChIKeyCFPHWDZNMFKXFO-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.92
Rot. Bonds3

About 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 3717771) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID3717771
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C22H26N4O3/c1-4-18-17-14-29-22(2,3)12-15(17)16(13-23)20(24-18)25-7-9-26(10-8-25)21(27)19-6-5-11-28-19/h5-6,11H,4,7-10,12,14H2,1-3H3
InChIKeyCFPHWDZNMFKXFO-UHFFFAOYSA-N
XLogP2.92
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 3717771) is 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is CFPHWDZNMFKXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-18-17-14-29-22(2,3)12-15(17)16(13-23)20(24-18)25-7-9-26(10-8-25)21(27)19-6-5-11-28-19/h5-6,11H,4,7-10,12,14H2,1-3H3.
What are the key properties of 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 394.48 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 3717771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).