6-(1-adamantylamino)pyridine-2-carbonitrile

C16H19N3 — CID 64590029

IUPAC6-(1-adamantylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H19N3/c17-10-14-2-1-3-15(18-14)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-9H2,(H,18,19)
InChIKeyVWQKEBVFDKYCTN-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.33
Rot. Bonds2

About 6-(1-adamantylamino)pyridine-2-carbonitrile

6-(1-adamantylamino)pyridine-2-carbonitrile (PubChem CID 64590029) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(1-adamantylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1-adamantylamino)pyridine-2-carbonitrile
PubChem CID64590029
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6-(1-adamantylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H19N3/c17-10-14-2-1-3-15(18-14)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-9H2,(H,18,19)
InChIKeyVWQKEBVFDKYCTN-UHFFFAOYSA-N
XLogP3.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(1-adamantylamino)pyridine-2-carbonitrile (CID 64590029) is 6-(1-adamantylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1-adamantylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1-adamantylamino)pyridine-2-carbonitrile is N#Cc1cccc(NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 6-(1-adamantylamino)pyridine-2-carbonitrile?
The InChIKey is VWQKEBVFDKYCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-10-14-2-1-3-15(18-14)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-9H2,(H,18,19).
What are the key properties of 6-(1-adamantylamino)pyridine-2-carbonitrile?
6-(1-adamantylamino)pyridine-2-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 64590029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).