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

C18H24N4O2 — CID 910170

IUPAC6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(=O)N1CCN(c2nc(C)c3c(c2C#N)CC(C)(C)OC3)CC1
InChIInChI=1S/C18H24N4O2/c1-12-16-11-24-18(3,4)9-14(16)15(10-19)17(20-12)22-7-5-21(6-8-22)13(2)23/h5-9,11H2,1-4H3
InChIKeyICELHYXCKFMCBX-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.78
Rot. Bonds1

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

6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 910170) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID910170
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(=O)N1CCN(c2nc(C)c3c(c2C#N)CC(C)(C)OC3)CC1
InChIInChI=1S/C18H24N4O2/c1-12-16-11-24-18(3,4)9-14(16)15(10-19)17(20-12)22-7-5-21(6-8-22)13(2)23/h5-9,11H2,1-4H3
InChIKeyICELHYXCKFMCBX-UHFFFAOYSA-N
XLogP1.78
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-Dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 800429
4-[5-cyano-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]-N-propylpiperazine-1-carboxamide
CID 3654944
3,3-dimethyl-8-(2-methylpropyl)-6-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 657441
6-(cyclohexylamino)-8-ethyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 657458
6-(4-Benzylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 657552
8-ethyl-3,3-dimethyl-6-[4-(phenylcarbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 657610
3,3-dimethyl-6-morpholino-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 657704
6-(diethylamino)-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 657820
3,3-dimethyl-6-(morpholin-4-yl)-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 658231
3,3-dimethyl-6-{[2-(morpholin-4-yl)ethyl]amino}-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 658478
8-Butyl-3,3-dimethyl-6-(2-morpholin-4-ylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 658504
3,3-dimethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 664660

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 910170) is 6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(=O)N1CCN(c2nc(C)c3c(c2C#N)CC(C)(C)OC3)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is ICELHYXCKFMCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-16-11-24-18(3,4)9-14(16)15(10-19)17(20-12)22-7-5-21(6-8-22)13(2)23/h5-9,11H2,1-4H3.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 1.78, 1 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)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 910170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).