6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile

C18H23N3 — CID 63482226

IUPAC6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile
SMILESCCNc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N
InChIInChI=1S/C18H23N3/c1-2-20-17-15(11-19)3-4-16(21-17)18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-14H,2,5-10H2,1H3,(H,20,21)
InChIKeyQQMXVIUIRQWDLI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.85
Rot. Bonds3

About 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile

6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile (PubChem CID 63482226) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile
PubChem CID63482226
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile
SMILESCCNc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N
InChIInChI=1S/C18H23N3/c1-2-20-17-15(11-19)3-4-16(21-17)18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-14H,2,5-10H2,1H3,(H,20,21)
InChIKeyQQMXVIUIRQWDLI-UHFFFAOYSA-N
XLogP3.85
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile (CID 63482226) is 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile is CCNc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N.
What is the InChIKey of 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile?
The InChIKey is QQMXVIUIRQWDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-20-17-15(11-19)3-4-16(21-17)18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-14H,2,5-10H2,1H3,(H,20,21).
What are the key properties of 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile?
6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile has a molecular weight of 281.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 63482226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).